3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]benzamide
Chemical Structure Depiction of
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]benzamide
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V026-6626 |
| Compound Name: | 3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]benzamide |
| Molecular Weight: | 545.11 |
| Molecular Formula: | C29 H29 Cl N6 O S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1cccc(c1)C(NCc1cccnc1)=O)N1CCN(CC1)c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4089 |
| logD: | 5.4085 |
| logSw: | -5.9248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.873 |
| InChI Key: | PEIXBAAUUHENIJ-UHFFFAOYSA-N |