3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
Compound characteristics
| Compound ID: | S629-0726 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C21 H34 N4 O4 S |
| Smiles: | CN1CCN(CCCNC(CCc2ccc3c(CN(CCO3)S(C)(=O)=O)c2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.2796 |
| logD: | -0.925 |
| logSw: | -2.3942 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.158 |
| InChI Key: | UILNOIRJZUBTAE-UHFFFAOYSA-N |