Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(O)CN1C(=O)C(Cc2ccc(O)cc2)N=C(c2cccc(O)c2)c2ccc(Cl)cc21- InChIKey
NVQICLHKNYQSLC-UHFFFAOYSA-N- Molecular formula
- C24H19ClN2O5
- Average molar mass
- 450.9 g/mol
- Monoisotopic mass
- 450.0982494
Names & identifiers
- Preferred name
- 2-[8-chloro-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
- IUPAC
- 2-[8-chloro-5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
Names & synonyms
NSC691344SCHEMBL26330356NSC-691344
Database identifiers
- PubChem CID
- 391759
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 723
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…