4-(2-Dimethylaminoethyl)-1-methyl-8-chloro-6-phenyl-4H-s-triazolo[4,3-a] [1,5]benzodiazepin-5-one

HCID 20329331

Basic information

Standard SMILES
Cc1nnc2n1-c1ccc(Cl)cc1N(c1ccccc1)C(=O)C2CCN(C)C
InChIKey
YYQBSYZYAIHRAS-UHFFFAOYSA-N
Molecular formula
C21H22ClN5O
Average molar mass
395.9 g/mol

Names & identifiers

Preferred name
4-(2-Dimethylaminoethyl)-1-methyl-8-chloro-6-phenyl-4H-s-triazolo[4,3-a] [1,5]benzodiazepin-5-one
IUPAC
8-chloro-4-[2-(dimethylamino)ethyl]-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-one

Names & synonyms

SCHEMBL11492037YYQBSYZYAIHRAS-UHFFFAOYSA-N4-(2-Dimethylaminoethyl)-1-methyl-8-chloro-6-phenyl-4H-s-triazolo[4,3-a] [1,5]benzodiazepin-5-one4-(2-Dimethylaminoethyl)-1-methyl-8-chloro-6-phenyl-4H-s-triazolo[4,3-a][1,5]benzodiazepin-5-one

Database identifiers

PubChem CID
20329331

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
54.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
28

Related reactions

5 records

Compound notes

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