Basic information
- Standard SMILES
CC(C)CN(C)Cc1cnnn1-c1cccc(C2=Nc3cc(N(C)C(C)C)c(Cl)cc3NC(=O)C2)c1- InChIKey
GZPCGGQMFQCOJG-UHFFFAOYSA-N- Molecular formula
- C27H34ClN7O
- Average molar mass
- 508.1 g/mol
Names & identifiers
- Preferred name
- 8-Chloro-4-(3-{5-[(isobutyl-methyl-amino)-methyl]-[1,2,3]triazol-1-yl}-phenyl)-7-(isopropyl-methyl-amino)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
- IUPAC
- 8-chloro-4-[3-[5-[[methyl(2-methylpropyl)amino]methyl]triazol-1-yl]phenyl]-7-[methyl(propan-2-yl)amino]-1,3-dihydro-1,5-benzodiazepin-2-one
Names & synonyms
SCHEMBL6164695GZPCGGQMFQCOJG-UHFFFAOYSA-N8-Chloro-4-(3-{5-[(isobutyl-methyl-amino)-methyl]-[1,2,3]triazol-1-yl}-phenyl)-7-(isopropyl-methyl-amino)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Database identifiers
- PubChem CID
- 10279060
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 777
Related reactions
2 records
Compound notes
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