3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-ethylbenzamide
Chemical Structure Depiction of
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-ethylbenzamide
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-ethylbenzamide
Compound characteristics
| Compound ID: | V002-2675 |
| Compound Name: | 3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-ethylbenzamide |
| Molecular Weight: | 482.05 |
| Molecular Formula: | C25 H28 Cl N5 O S |
| Salt: | not_available |
| Smiles: | CCNC(c1cccc(CSc2nc(C)cc(n2)N2CCN(CC2)c2ccccc2[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2758 |
| logD: | 5.2755 |
| logSw: | -5.8113 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.253 |
| InChI Key: | XSEAMQPPNHTIND-UHFFFAOYSA-N |