2-[8-chloro-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile
Basic information
- Standard SMILES
N#CCN1C(=O)C(Cc2ccc(O)cc2)N=C(c2cccc(O)c2)c2ccc(Cl)cc21- InChIKey
QZHLYJRYBZYOSO-UHFFFAOYSA-N- Molecular formula
- C24H18ClN3O3
- Average molar mass
- 431.9 g/mol
- Monoisotopic mass
- 431.1036691
Names & identifiers
- Preferred name
- 2-[8-chloro-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile
- IUPAC
- 2-[8-chloro-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetonitrile
Names & synonyms
NSC691341NSC-691341
Database identifiers
- PubChem CID
- 391756
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 727
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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