N-(3-bromo-4-methylphenyl)-3-[4-(cyanomethyl)piperazin-1-yl]propanamide
Chemical Structure Depiction of
N-(3-bromo-4-methylphenyl)-3-[4-(cyanomethyl)piperazin-1-yl]propanamide
N-(3-bromo-4-methylphenyl)-3-[4-(cyanomethyl)piperazin-1-yl]propanamide
Compound characteristics
| Compound ID: | 8012-8817 |
| Compound Name: | N-(3-bromo-4-methylphenyl)-3-[4-(cyanomethyl)piperazin-1-yl]propanamide |
| Molecular Weight: | 365.27 |
| Molecular Formula: | C16 H21 Br N4 O |
| Smiles: | Cc1ccc(cc1[Br])NC(CCN1CCN(CC1)CC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6806 |
| logD: | 1.6661 |
| logSw: | -2.3909 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.381 |
| InChI Key: | PJMCMOIBAWVWGD-UHFFFAOYSA-N |