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FHT-1015

CAT: 0607-BA4671-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4671-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2368903-18-6
Form
A solid
Molecular Formula
C25H25N5O4S3
Molecular Weight
555.69
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

CID 139371523

CID 139371523 is an organic molecular entity.

CAS Number2368903-18-6
PubChem CID139371523
IUPAC NameN-[(2S)-4-methylsulfanyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]butan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
Molecular FormulaC25H25N5O4S3
Molecular Weight555.7
XLogP3.1
Topological Polar Surface Area185
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity880
SMILES
CSCC[C@@H](C(=O)NC1=NC(=CS1)C2=CC=CC(=C2)C3=CC=NC=C3)NC(=O)C4=CN(C=C4)S(=O)(=O)C
InChI
InChI=1S/C25H25N5O4S3/c1-35-13-9-21(27-23(31)20-8-12-30(15-20)37(2,33)34)24(32)29-25-28-22(16-36-25)19-5-3-4-18(14-19)17-6-10-26-11-7-17/h3-8,10-12,14-16,21H,9,13H2,1-2H3,(H,27,31)(H,28,29,32)/t21-/m0/s1
InChIKey
FAYSHZVDWADZMD-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of CID 139371523
CAS: 2368903-18-6
CID: 139371523
Formula: C25H25N5O4S3
MW: 555.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.7
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass555.10686782
Monoisotopic Mass555.10686782
Topological Polar Surface Area185 Ų
Heavy Atom Count37
Formal Charge0
Complexity880
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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