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Basic information
- Standard SMILES
NC(=O)CCC1N=C(c2cccc(O)c2)c2ccc(Cl)cc2N(CC(N)=O)C1=O- InChIKey
DRCXNOSRDAOUQK-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)-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide
- IUPAC
- 3-[1-(2-amino-2-oxoethyl)-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]propanamide
Names & synonyms
NSC691356NSC-691356
Database identifiers
- PubChem CID
- 391771
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 685
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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