N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(thiophen-2-yl)acetamide
Chemical Structure Depiction of
N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(thiophen-2-yl)acetamide
N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(thiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | V022-9027 |
| Compound Name: | N-{4-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-2-(thiophen-2-yl)acetamide |
| Molecular Weight: | 440.95 |
| Molecular Formula: | C23 H21 Cl N2 O3 S |
| Smiles: | CC1C(N(Cc2ccc(cc2)[Cl])Cc2cc(ccc2O1)NC(Cc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8901 |
| logD: | 3.8901 |
| logSw: | -4.276 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.477 |
| InChI Key: | YTJCFCWSOXVISW-HNNXBMFYSA-N |