GSK1940029 25mg

CAT: 0628-A20820-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A20820-25Size:25 mg

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CAS Number

1150701-66-8

Chemical Information

SCD inhibitor 1

CAS Number	1150701-66-8
PubChem CID	42603008
IUPAC Name	1-[(3,4-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
Molecular Formula	C18H16Cl2N4O2
Molecular Weight	391.2
XLogP	3.2
Topological Polar Surface Area	80
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	476

SMILES

CC1=C(N=NN1CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)CO

InChI

InChI=1S/C18H16Cl2N4O2/c1-11-17(18(26)21-14-5-2-12(10-25)3-6-14)22-23-24(11)9-13-4-7-15(19)16(20)8-13/h2-8,25H,9-10H2,1H3,(H,21,26)

InChIKey

QQRGSFYTPBYCFD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1150701-66-8

CID: 42603008

Formula: C18H16Cl2N4O2

MW: 391.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	391.2
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	390.0650312
Monoisotopic Mass	390.0650312
Topological Polar Surface Area	80 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	476
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes