2-[7-chloro-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetamide
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Basic information
- Standard SMILES
NC(=O)CN1C(=O)C(Cc2ccc(O)cc2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21- InChIKey
QCSQTHNBOWKWNK-UHFFFAOYSA-N- Molecular formula
- C24H20ClN3O4
- Average molar mass
- 449.9 g/mol
- Monoisotopic mass
- 449.1142338
Names & identifiers
- Preferred name
- 2-[7-chloro-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetamide
- IUPAC
- 2-[7-chloro-5-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetamide
Names & synonyms
NSC691345NSC-691345
Database identifiers
- PubChem CID
- 391760
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 716
Related reactions
0 records
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Compound notes
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