4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-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-[(oxolan-2-yl)methyl]benzamide
4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V026-2436 |
| Compound Name: | 4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 601.69 |
| Molecular Formula: | C30 H34 F3 N5 O3 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1ccc(cc1)C(NCC1CCCO1)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7993 |
| logD: | 4.7991 |
| logSw: | -4.6963 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.423 |
| InChI Key: | XMDDXUTVQKDIIH-AREMUKBSSA-N |