7-chloro-1-(cyclopropylmethyl)-5-(4-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
Basic information
- Standard SMILES
CC(C)C1N=C(c2ccc(O)cc2)c2cc(Cl)ccc2N(CC2CC2)C1=O- InChIKey
AQJJRYLUFQLQFM-UHFFFAOYSA-N- Molecular formula
- C22H23ClN2O2
- Average molar mass
- 382.9 g/mol
- Monoisotopic mass
- 382.1448057
Names & identifiers
- Preferred name
- 7-chloro-1-(cyclopropylmethyl)-5-(4-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
- IUPAC
- 7-chloro-1-(cyclopropylmethyl)-5-(4-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one
Names & synonyms
NSC691363NSC-691363
Database identifiers
- PubChem CID
- 391778
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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