N-benzyl-N-ethyl-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-benzyl-N-ethyl-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-benzyl-N-ethyl-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-0681 |
| Compound Name: | N-benzyl-N-ethyl-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Smiles: | CCN(Cc1ccccc1)C(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8932 |
| logD: | 2.8932 |
| logSw: | -3.3335 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.066 |
| InChI Key: | PKPYKWJWSXCBMJ-UHFFFAOYSA-N |