Basic information
- Standard SMILES
CC(C)(C)c1ccc2c(c1)NCCN(c1cccc(Br)c1C=O)C2=O- InChIKey
YFOGPCMPUNSUCH-UHFFFAOYSA-N- Molecular formula
- C20H21BrN2O2
- Average molar mass
- 401.3 g/mol
- Monoisotopic mass
- 400.07864
Names & identifiers
- Preferred name
- 2-Bromo-6-(8-tert-butyl-5-oxo-1,2,3,5-tetrahydrobenzo[e][1,4]diazepin-4-yl)-benzaldehyde
- IUPAC
- 2-bromo-6-(8-tert-butyl-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)benzaldehyde
Names & synonyms
SCHEMBL700069YFOGPCMPUNSUCH-UHFFFAOYSA-N2-Bromo-6-(8-tert-butyl-5-oxo-1,2,3,5-tetrahydrobenzo[e][1,4]diazepin-4-yl)-benzaldehyde
Database identifiers
- PubChem CID
- 59548536
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 504
Related reactions
3 records
Compound notes
Loading…