3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | S629-0741 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]propanamide |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Smiles: | Cn1c2ccccc2nc1CNC(CCc1ccc2c(CN(CCO2)S(C)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1894 |
| logD: | 2.1857 |
| logSw: | -2.9141 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.844 |
| InChI Key: | DLGVWDQLDFBGDW-UHFFFAOYSA-N |