N-(butan-2-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-(butan-2-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-1009 |
| Compound Name: | N-(butan-2-yl)-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C17 H26 N2 O4 S |
| Smiles: | CCC(C)NC(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9252 |
| logD: | 1.9252 |
| logSw: | -2.861 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.57 |
| InChI Key: | YFFFYRVHXZKOTQ-ZDUSSCGKSA-N |