Basic information
- Standard SMILES
CC(C)CN1C(=O)C(NC(=O)OCc2ccccc2)N=C(C2CCCCC2)c2ccccc21- InChIKey
GAUJRXDDIIGHRL-UHFFFAOYSA-N- Molecular formula
- C27H33N3O3
- Average molar mass
- 447.6 g/mol
- Monoisotopic mass
- 447.25219192
Names & identifiers
- Preferred name
- 5-Cyclohexyl-1,3-dihydro-1-(2-methylpropyl)-3(R,S)-[(benzyloxycarbonyl)amino]-2H-1,4-benzodiazepin-2-one
- IUPAC
- benzyl N-[5-cyclohexyl-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate
Names & synonyms
SCHEMBL9302105GAUJRXDDIIGHRL-UHFFFAOYSA-N5-Cyclohexyl-1,3-dihydro-1-(2-methylpropyl)-3(R,S)-[(benzyloxycarbonyl)amino]-2H-1,4-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 18957779
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 695
Related reactions
2 records
Compound notes
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