4-chloro-N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-chloro-N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide
4-chloro-N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V004-6587 |
| Compound Name: | 4-chloro-N-{2-ethyl-4-[(4-fluorophenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}benzene-1-sulfonamide |
| Molecular Weight: | 488.96 |
| Molecular Formula: | C24 H22 Cl F N2 O4 S |
| Smiles: | CCC1C(N(Cc2ccc(cc2)F)Cc2cc(ccc2O1)NS(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0727 |
| logD: | 4.9713 |
| logSw: | -5.2137 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.425 |
| InChI Key: | QZKHQKZGAMRTGW-JOCHJYFZSA-N |