N-{4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
N-{4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V016-8416 |
| Compound Name: | N-{4-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}thiophene-2-carboxamide |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C23 H21 Cl N2 O3 S |
| Smiles: | CCC1C(N(Cc2ccc(cc2)[Cl])Cc2cc(ccc2O1)NC(c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0441 |
| logD: | 5.0441 |
| logSw: | -5.1138 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.885 |
| InChI Key: | PWCYREOJYIXOSL-IBGZPJMESA-N |