3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
Chemical Structure Depiction of
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | S629-0864 |
| Compound Name: | 3-[4-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C23 H34 N4 O3 |
| Smiles: | CN1CCN(CCNC(CCc2ccc3c(CN(CCO3)C(C3CC3)=O)c2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.0123 |
| logD: | 0.3448 |
| logSw: | -2.3264 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.855 |
| InChI Key: | JSOCZCCLOXEWTE-UHFFFAOYSA-N |