N-benzyl-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-methylpropanamide
Chemical Structure Depiction of
N-benzyl-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-methylpropanamide
N-benzyl-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-methylpropanamide
Compound characteristics
| Compound ID: | S629-0982 |
| Compound Name: | N-benzyl-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-methylpropanamide |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C21 H26 N2 O4 S |
| Smiles: | CN(Cc1ccccc1)C(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9749 |
| logD: | 2.9749 |
| logSw: | -3.3681 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.281 |
| InChI Key: | JSXNNCXBIQJFKC-UHFFFAOYSA-N |