ethyl 4,5-dimethyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 4,5-dimethyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}thiophene-3-carboxylate
ethyl 4,5-dimethyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0660 |
| Compound Name: | ethyl 4,5-dimethyl-2-{4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}thiophene-3-carboxylate |
| Molecular Weight: | 561.62 |
| Molecular Formula: | C22 H22 F3 N3 O5 S3 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1cccs1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3575 |
| logD: | 1.1777 |
| logSw: | -4.358 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.568 |
| InChI Key: | STANLARDDIBILA-UHFFFAOYSA-N |