2-(3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-(3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-(3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 7213-0291 |
| Compound Name: | 2-(3-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 496.53 |
| Molecular Formula: | C21 H19 F3 N4 O3 S2 |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(CCSc1nc(cc(C(F)(F)F)n1)c1ccco1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.2616 |
| logD: | 2.7695 |
| logSw: | -3.6198 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.49 |
| InChI Key: | IYQKJAZNXDNEGF-UHFFFAOYSA-N |