3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(oxolan-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(oxolan-2-yl)methyl]propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | S629-0761 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(oxolan-2-yl)methyl]propanamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C18 H26 N2 O5 S |
| Smiles: | CS(N1CCOc2ccc(CCC(NCC3CCCO3)=O)cc2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7851 |
| logD: | 0.7851 |
| logSw: | -2.4775 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.512 |
| InChI Key: | KYEGENMXZAGVNI-MRXNPFEDSA-N |