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Basic information
- Standard SMILES
N#CCN1C(=O)C(CCC(N)=O)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21- InChIKey
APVYVFIARZUVLQ-UHFFFAOYSA-N- Molecular formula
- C20H17ClN4O3
- Average molar mass
- 396.8 g/mol
- Monoisotopic mass
- 396.0989181
Names & identifiers
- Preferred name
- 3-[7-chloro-1-(cyanomethyl)-5-(4-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide
- IUPAC
- 3-[7-chloro-1-(cyanomethyl)-5-(4-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide
Names & synonyms
NSC691348NSC-691348
Database identifiers
- PubChem CID
- 391763
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
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Compound notes
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