N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-0742 |
| Compound Name: | N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 416.51 |
| Molecular Formula: | C17 H24 N2 O6 S2 |
| Smiles: | CS(N1CCOc2ccc(CCC(NC3CCS(C3)(=O)=O)=O)cc2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0314 |
| logD: | 0.0314 |
| logSw: | -2.424 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.02 |
| InChI Key: | PMQVVHKVXCPDKK-OAHLLOKOSA-N |