4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide
4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V003-5460 |
| Compound Name: | 4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]benzamide |
| Molecular Weight: | 608.69 |
| Molecular Formula: | C31 H31 F3 N6 O2 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1ccc(cc1)C(NCc1ccccn1)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.3388 |
| logD: | 5.3386 |
| logSw: | -5.4682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.312 |
| InChI Key: | QIGAYMFOOBJKPJ-UHFFFAOYSA-N |