N-ethyl-4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-ethyl-4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide
N-ethyl-4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V003-5436 |
| Compound Name: | N-ethyl-4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 545.63 |
| Molecular Formula: | C27 H30 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCNC(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8879 |
| logD: | 4.8877 |
| logSw: | -4.7153 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.666 |
| InChI Key: | XPRAFSMJWJEDOF-UHFFFAOYSA-N |