3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-1006 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C20 H30 N2 O5 S |
| Smiles: | COCC1CCN(CC1)C(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8812 |
| logD: | 1.8812 |
| logSw: | -2.6045 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.202 |
| InChI Key: | XKVKOFOTBGDJCF-UHFFFAOYSA-N |