8-Chloro-4-[3-(5-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-7-(isobutyl-methyl-amino)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)CN(C)c1cc2c(cc1Cl)NC(=O)CC(c1cccc(-n3nncc3CN(C)C)c1)=N2- InChIKey
VGCFBGKWKFNEIC-UHFFFAOYSA-N- Molecular formula
- C25H30ClN7O
- Average molar mass
- 480 g/mol
- Monoisotopic mass
- 479.2200363
Names & identifiers
- Preferred name
- 8-Chloro-4-[3-(5-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-7-(isobutyl-methyl-amino)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
- IUPAC
- 8-chloro-4-[3-[5-[(dimethylamino)methyl]triazol-1-yl]phenyl]-7-[methyl(2-methylpropyl)amino]-1,3-dihydro-1,5-benzodiazepin-2-one
Names & synonyms
SCHEMBL6165096VGCFBGKWKFNEIC-UHFFFAOYSA-N8-Chloro-4-[3-(5-dimethylaminomethyl-[1,2,3]triazol-1-yl)-phenyl]-7-(isobutyl-methyl-amino)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
Database identifiers
- PubChem CID
- 10277464
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 732
Related reactions
2 records
Compound notes
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