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Cgp 31358

CAT: 0013-GTR19195152-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195152-02Size:50 mg
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Description
Cgp 31358
CAS Number
125652-47-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O (C) C1=C (C=CC (C (C) (C) C2=CC=C (Cl) C=C2) =C1) N3N=C (C (N) =O) N=C3
Molecular Formula
C19H19ClN4O2
Molecular Weight
370.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cgp 31358

binds to site on NMDA receptor that is coupled to both transmitter recognition site & the channel domain; structure given in first source

CAS Number125652-47-3
PubChem CID130493
IUPAC Name1-[4-[2-(4-chlorophenyl)propan-2-yl]-2-methoxyphenyl]-1,2,4-triazole-3-carboxamide
Molecular FormulaC19H19ClN4O2
Molecular Weight370.8
XLogP4.3
Topological Polar Surface Area83
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity496
SMILES
CC(C)(C1=CC=C(C=C1)Cl)C2=CC(=C(C=C2)N3C=NC(=N3)C(=O)N)OC
InChI
InChI=1S/C19H19ClN4O2/c1-19(2,12-4-7-14(20)8-5-12)13-6-9-15(16(10-13)26-3)24-11-22-18(23-24)17(21)25/h4-11H,1-3H3,(H2,21,25)
InChIKey
STTFFDLZKCMBQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cgp 31358
CAS: 125652-47-3
CID: 130493
Formula: C19H19ClN4O2
MW: 370.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.8
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass370.1196536
Monoisotopic Mass370.1196536
Topological Polar Surface Area83 Ų
Heavy Atom Count26
Formal Charge0
Complexity496
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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