2-[3-benzyl-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(O)CN1C(=O)C(Cc2ccccc2)N=C(c2cccc(O)c2)c2ccc(Cl)cc21- InChIKey
VSOCBYZNXOZWNV-UHFFFAOYSA-N- Molecular formula
- C24H19ClN2O4
- Average molar mass
- 434.9 g/mol
- Monoisotopic mass
- 434.1033348
Names & identifiers
- Preferred name
- 2-[3-benzyl-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
- IUPAC
- 2-[3-benzyl-8-chloro-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
Names & synonyms
NSC691335SCHEMBL26330344NSC-691335
Database identifiers
- PubChem CID
- 391750
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 693
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…