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Basic information
- Standard SMILES
NC(=O)CCC1N=C(c2ccc(O)cc2)c2cc(Cl)ccc2N(CC(N)=O)C1=O- InChIKey
NYPMEFLRANNWEJ-UHFFFAOYSA-N- Molecular formula
- C20H19ClN4O4
- Average molar mass
- 414.8 g/mol
- Monoisotopic mass
- 414.1094828
Names & identifiers
- Preferred name
- 3-[1-(2-amino-2-oxoethyl)-7-chloro-5-(4-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide
- IUPAC
- 3-[1-(2-amino-2-oxoethyl)-7-chloro-5-(4-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide
Names & synonyms
NSC691354NSC-691354
Database identifiers
- PubChem CID
- 391769
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 677
Related reactions
0 records
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Compound notes
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