ethyl 6-methyl-2-(2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-(2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-(2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-9496 |
| Compound Name: | ethyl 6-methyl-2-(2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C20 H22 F3 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CSc1nc(C)cc(C(F)(F)F)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9275 |
| logD: | 2.9028 |
| logSw: | -4.7071 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.685 |
| InChI Key: | VIBNADIXLPSBSV-SNVBAGLBSA-N |