2-[3-(3-amino-3-oxopropyl)-7-chloro-5-(4-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
Basic information
- Standard SMILES
NC(=O)CCC1N=C(c2ccc(O)cc2)c2cc(Cl)ccc2N(CC(=O)O)C1=O- InChIKey
USNWONVZLSDAPN-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)-7-chloro-5-(4-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
- IUPAC
- 2-[3-(3-amino-3-oxopropyl)-7-chloro-5-(4-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
Names & synonyms
NSC691351NSC-691351
Database identifiers
- PubChem CID
- 391766
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 677
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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