2-[5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
Basic information
- Standard SMILES
O=C(O)CN1C(=O)C(Cc2ccc(O)cc2)N=C(c2cccc(O)c2)c2ccccc21- InChIKey
MMHYOIONHMRDBH-UHFFFAOYSA-N- Molecular formula
- C24H20N2O5
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 416.13722174
Names & identifiers
- Preferred name
- 2-[5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
- IUPAC
- 2-[5-(3-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
Names & synonyms
NSC691343CHEMBL1996699NSC-691343NCI60_032800
Database identifiers
- PubChem CID
- 391758
- ChEMBL
CHEMBL1996699
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 687
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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