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DC-120

CAT: 0013-GTR19208288-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208288-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DC-120
CAS Number
1261080-40-3
Smiles
C (N[C@@H] (CC1=C (Cl) C=C (Cl) C=C1) CN) (=O) C=2SC (=NC2) C3=NC (NC) =NC=C3
Molecular Formula
C18H18Cl2N6OS
Molecular Weight
437.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 75992448
CAS Number1261080-40-3
PubChem CID75992448
IUPAC NameN-[1-amino-3-(2,4-dichlorophenyl)propan-2-yl]-2-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide
Molecular FormulaC18H18Cl2N6OS
Molecular Weight437.3
XLogP3.2
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity518
SMILES
CNC1=NC=CC(=N1)C2=NC=C(S2)C(=O)NC(CC3=C(C=C(C=C3)Cl)Cl)CN
InChI
InChI=1S/C18H18Cl2N6OS/c1-22-18-23-5-4-14(26-18)17-24-9-15(28-17)16(27)25-12(8-21)6-10-2-3-11(19)7-13(10)20/h2-5,7,9,12H,6,8,21H2,1H3,(H,25,27)(H,22,23,26)
InChIKey
PFYLLYYLCPZDMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 75992448
CAS: 1261080-40-3
CID: 75992448
Formula: C18H18Cl2N6OS
MW: 437.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.3
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass436.0639858
Monoisotopic Mass436.0639858
Topological Polar Surface Area134 Ų
Heavy Atom Count28
Formal Charge0
Complexity518
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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