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Basic information
- Standard SMILES
O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2N(CCO)C1=O)c1cc2ccccc2[nH]1- InChIKey
NURXWTUCZWXHMK-XMMPIXPASA-N- Molecular formula
- C26H22N4O3
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.16919058
Names & identifiers
- Preferred name
- (3S)-1-(2-hydroxyethyl)-3-(2-indolylcarbonylamino)-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-one
- IUPAC
- N-[(3S)-1-(2-hydroxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1H-indole-2-carboxamide
Names & synonyms
SCHEMBL9124795NURXWTUCZWXHMK-XMMPIXPASA-N(3S)-1-(2-hydroxyethyl)-3-(2-indolylcarbonylamino) -1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-one(3S)-1-(2-hydroxyethyl)-3-(2-indolylcarbonylamino)-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-one
Database identifiers
- PubChem CID
- 14800307
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 750
Related reactions
3 records
Compound notes
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