ethyl 6-ethyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0685 |
| Compound Name: | ethyl 6-ethyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 615.71 |
| Molecular Formula: | C26 H28 F3 N3 O5 S3 |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(CCCS(c3nc(cc(C(F)(F)F)n3)c3cccs3)(=O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7946 |
| logD: | 2.656 |
| logSw: | -5.5315 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.489 |
| InChI Key: | JBEXTDIKGMDDGH-OAHLLOKOSA-N |