2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 6466-0942 |
| Compound Name: | 2-(2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 482.5 |
| Molecular Formula: | C20 H17 F3 N4 O3 S2 |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(CSc1nc(cc(C(F)(F)F)n1)c1ccco1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.162 |
| logD: | 2.8854 |
| logSw: | -3.4341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.49 |
| InChI Key: | DCHAWKBBQKAXRZ-UHFFFAOYSA-N |