3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide
Chemical Structure Depiction of
3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide
3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V004-1067 |
| Compound Name: | 3-{[(4,5-dimethyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}-N-[2-(morpholin-4-yl)ethyl]benzamide |
| Molecular Weight: | 614.73 |
| Molecular Formula: | C31 H37 F3 N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1cccc(c1)C(F)(F)F)SCc1cccc(c1)C(NCCN1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0819 |
| logD: | 5.0678 |
| logSw: | -4.9656 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.629 |
| InChI Key: | NGLKMQCGAFZRIN-UHFFFAOYSA-N |