2-[3-(3-amino-3-oxopropyl)-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
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Basic information
- Standard SMILES
NC(=O)CCC1N=C(c2cccc(O)c2)c2ccc(Cl)cc2N(CC(=O)O)C1=O- InChIKey
JQUXHZVITAYGIX-UHFFFAOYSA-N- Molecular formula
- C20H18ClN3O5
- Average molar mass
- 415.8 g/mol
- Monoisotopic mass
- 415.0934984
Names & identifiers
- Preferred name
- 2-[3-(3-amino-3-oxopropyl)-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
- IUPAC
- 2-[3-(3-amino-3-oxopropyl)-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
Names & synonyms
NSC691353SCHEMBL26330355NSC-691353
Database identifiers
- PubChem CID
- 391768
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 685
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Compound notes
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