Basic information
- CAS
671207-67-3- Standard SMILES
O=C(/C=C1\CC(C(=O)O)C(=O)Nc2cc(Cl)ccc21)Nc1ccccc1- InChIKey
NOUWUUUDUNANMH-PKNBQFBNSA-N- Molecular formula
- C19H15ClN2O4
- Average molar mass
- 370.8 g/mol
- Monoisotopic mass
- 370.0720347
Names & identifiers
- Preferred name
- GV-224029 free acid
- IUPAC
- (5E)-5-(2-anilino-2-oxoethylidene)-8-chloro-2-oxo-3,4-dihydro-1H-1-benzazepine-3-carboxylic acid
Names & synonyms
GV-224029 free acidUNII-70UE3NA02H70UE3NA02H671207-67-31H-1-Benzazepine-3-carboxylic acid, 8-chloro-2,3,4,5-tetrahydro-2-oxo-5-(2-oxo-2-(phenylamino)ethylidene)-, (5E)-Q27265893
Database identifiers
- CAS
671207-67-3- PubChem CID
- 9999255
- UNII
- 70UE3NA02H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 600
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…