5-(methanesulfonyl)-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0057 |
| Compound Name: | 5-(methanesulfonyl)-N-[4-(propan-2-yl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 388.48 |
| Molecular Formula: | C20 H24 N2 O4 S |
| Smiles: | CC(C)c1ccc(cc1)NC(C1CCN(c2ccccc2O1)S(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6372 |
| logD: | 3.6372 |
| logSw: | -3.8641 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.644 |
| InChI Key: | KBTZTGWZTYHWHE-LJQANCHMSA-N |