N-{[4-(4-acetylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
N-{[4-(4-acetylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-(4-methylphenyl)acetamide
N-{[4-(4-acetylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L756-0333 |
| Compound Name: | N-{[4-(4-acetylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 492.59 |
| Molecular Formula: | C27 H28 N2 O5 S |
| Smiles: | CC(c1ccc(cc1)S(N1CCOc2ccc(CN(C(C)=O)c3ccc(C)cc3)cc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0791 |
| logD: | 4.0791 |
| logSw: | -4.2173 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.811 |
| InChI Key: | XOPSINAOJZRLRW-UHFFFAOYSA-N |