3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | S629-0701 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-methyl-N-[2-(pyridin-2-yl)ethyl]propanamide |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | CN(CCc1ccccn1)C(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8122 |
| logD: | 1.8054 |
| logSw: | -2.5501 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.802 |
| InChI Key: | MORSICNUPLDXLW-UHFFFAOYSA-N |