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
- Formal charge
- 0
- Complexity
- 555
Related reactions
5 records
Compound notes
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