3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl}sulfanyl)methyl]-N-ethylbenzamide
Chemical Structure Depiction of
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl}sulfanyl)methyl]-N-ethylbenzamide
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl}sulfanyl)methyl]-N-ethylbenzamide
Compound characteristics
| Compound ID: | V024-6383 |
| Compound Name: | 3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl}sulfanyl)methyl]-N-ethylbenzamide |
| Molecular Weight: | 496.07 |
| Molecular Formula: | C26 H30 Cl N5 O S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(NCC)=O)N1CCN(CC1)c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8735 |
| logD: | 5.8731 |
| logSw: | -5.9781 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.941 |
| InChI Key: | XMQIFSFPCCEXTF-UHFFFAOYSA-N |