ethyl 1-[4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
ethyl 1-[4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V003-5496 |
| Compound Name: | ethyl 1-[4-({[4-(methoxymethyl)-6-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate |
| Molecular Weight: | 657.76 |
| Molecular Formula: | C33 H38 F3 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6125 |
| logD: | 5.6123 |
| logSw: | -5.4561 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.691 |
| InChI Key: | IRCVBBASHVBFAU-VWLOTQADSA-N |