3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide
3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V026-1911 |
| Compound Name: | 3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide |
| Molecular Weight: | 594.66 |
| Molecular Formula: | C30 H29 F3 N6 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1cc(C(F)(F)F)nc(n1)SCc1cccc(c1)C(NCc1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8873 |
| logD: | 5.8871 |
| logSw: | -5.5627 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.937 |
| InChI Key: | BLTJHQXWECZSIM-UHFFFAOYSA-N |