4-{[(4-methyl-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-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
4-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V022-2269 |
| Compound Name: | 4-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 571.66 |
| Molecular Formula: | C29 H32 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1ccc(cc1)C(NCC1CCCO1)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0214 |
| logD: | 5.0211 |
| logSw: | -4.7404 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.311 |
| InChI Key: | XVIMWHSERFHXIP-RUZDIDTESA-N |