3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-{3-[(propan-2-yl)oxy]propyl}propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-{3-[(propan-2-yl)oxy]propyl}propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-{3-[(propan-2-yl)oxy]propyl}propanamide
Compound characteristics
| Compound ID: | S629-0976 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-{3-[(propan-2-yl)oxy]propyl}propanamide |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C19 H30 N2 O5 S |
| Smiles: | CC(C)OCCCNC(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3371 |
| logD: | 1.3371 |
| logSw: | -2.4975 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.172 |
| InChI Key: | NDVHWEMTUPCBNG-UHFFFAOYSA-N |