2-(2-{[4-(thiophen-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-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 7213-0204 |
| Compound Name: | 2-(2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 498.57 |
| Molecular Formula: | C20 H17 F3 N4 O2 S3 |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(CSc1nc(cc(C(F)(F)F)n1)c1cccs1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.8999 |
| logD: | 3.6233 |
| logSw: | -4.3374 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.93 |
| InChI Key: | OPKWTXNEZMEXEO-UHFFFAOYSA-N |