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MIND4-17

CAT: 0926-VNA98924-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-VNA98924-03Size:100 mg
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CAS Number
345989-24-4
MDL Number
MFCD01899657
Smiles
C1=CC=C (C=C1) N2C (=NN=C2SC3=NC=C (C=C3) [N+] (=O) [O-]) COC4=CC=CC=C4
Molecular Formula
C20H15N5O3S
Molecular Weight
405.4 g/mol
Controlled
No

Chemical Information

5-Nitro-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine

MIND4-17 is an organic molecular entity.

CAS Number345989-24-4
PubChem CID1327659
IUPAC Name5-nitro-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine
Molecular FormulaC20H15N5O3S
Molecular Weight405.4
XLogP4.1
Topological Polar Surface Area124
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity525
SMILES
C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(C=C3)[N+](=O)[O-])COC4=CC=CC=C4
InChI
InChI=1S/C20H15N5O3S/c26-25(27)16-11-12-19(21-13-16)29-20-23-22-18(14-28-17-9-5-2-6-10-17)24(20)15-7-3-1-4-8-15/h1-13H,14H2
InChIKey
OZUBDKIROJPQGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Nitro-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine
CAS: 345989-24-4
CID: 1327659
Formula: C20H15N5O3S
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass405.08956053
Monoisotopic Mass405.08956053
Topological Polar Surface Area124 Ų
Heavy Atom Count29
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA8627-50MIND4-17
GTR19193545-01MIND4
BA4524-50MIND4-19
MBS393792-01Heptadecanoic-17,17,17-D3 Acid
138536-AFCytokeratin 17 (Cytokeratin-17, CK 17, CK17, CK-17, Keratin 17, Keratin-17, Keratin Type I Cytoskeletal 17)
138536-AF-FITCCytokeratin 17 (Cytokeratin-17, CK 17, CK17, CK-17, Keratin 17, Keratin-17, Keratin Type I Cytoskeletal 17) (FITC)
138536-AF-APCCytokeratin 17 (Cytokeratin-17, CK 17, CK17, CK-17, Keratin 17, Keratin-17, Keratin Type I Cytoskeletal 17) (APC)

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