N-benzyl-4-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
Chemical Structure Depiction of
N-benzyl-4-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
N-benzyl-4-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide
Compound characteristics
| Compound ID: | V024-9890 |
| Compound Name: | N-benzyl-4-{[(4-methyl-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl)sulfanyl]methyl}benzamide |
| Molecular Weight: | 577.67 |
| Molecular Formula: | C31 H30 F3 N5 O S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1ccc(cc1)C(NCc1ccccc1)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.4708 |
| logD: | 6.4705 |
| logSw: | -5.833 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.656 |
| InChI Key: | UAUPZDYFDJOCHW-UHFFFAOYSA-N |