N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-0747 |
| Compound Name: | N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 437.6 |
| Molecular Formula: | C22 H35 N3 O4 S |
| Smiles: | CCN1CCC(CCNC(CCc2ccc3c(CN(CCO3)S(C)(=O)=O)c2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.883 |
| logD: | -0.1773 |
| logSw: | -2.7775 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.428 |
| InChI Key: | DFPPGQRGAGMXJM-UHFFFAOYSA-N |