ethyl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6466-0939 |
| Compound Name: | ethyl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 525.57 |
| Molecular Formula: | C23 H22 F3 N3 O4 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CSc1nc(cc(C(F)(F)F)n1)c1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7412 |
| logD: | 3.7165 |
| logSw: | -5.458 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.185 |
| InChI Key: | WCOBABDXCIWTFR-GFCCVEGCSA-N |