Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1CN(C2CCCCC2)c2ccccc2NC1=O- InChIKey
VYJQRSDNOQNCMN-MRXNPFEDSA-N- Molecular formula
- C20H29N3O3
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.2208918
Names & identifiers
- Preferred name
- (R)-(-)-2-oxo-3-tert-butoxycarbonylamino-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
- IUPAC
- tert-butyl N-[(3R)-5-cyclohexyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate
Names & synonyms
SCHEMBL6175781VYJQRSDNOQNCMN-MRXNPFEDSA-N(R)-(-)-2-oxo-3-tert-butoxycarbonylamino-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
Database identifiers
- PubChem CID
- 12043264
- Nikkaji
- J3.128.265I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 511
Related reactions
4 records
Compound notes
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