N-[2-(diethylamino)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-[2-(diethylamino)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-[2-(diethylamino)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-0673 |
| Compound Name: | N-[2-(diethylamino)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C19 H31 N3 O4 S |
| Smiles: | CCN(CC)CCNC(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.387 |
| logD: | -0.46 |
| logSw: | -2.5329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.382 |
| InChI Key: | YLUHLLFPOPUWEG-UHFFFAOYSA-N |