N-(4-benzyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-benzyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-4-methylbenzene-1-sulfonamide
N-(4-benzyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V017-8736 |
| Compound Name: | N-(4-benzyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C23 H22 N2 O4 S |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc2c(CN(Cc3ccccc3)C(CO2)=O)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.457 |
| logD: | 3.4156 |
| logSw: | -3.7739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.227 |
| InChI Key: | FEWOWXRYYJDFGX-UHFFFAOYSA-N |