methyl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6466-0937 |
| Compound Name: | methyl 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C21 H18 F3 N3 O4 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(CSc1nc(cc(C(F)(F)F)n1)c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9249 |
| logD: | 2.9003 |
| logSw: | -4.7785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.605 |
| InChI Key: | VRSUOOLQMIYUQP-UHFFFAOYSA-N |