2-ethyl 4-methyl 3-methyl-5-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
2-ethyl 4-methyl 3-methyl-5-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)thiophene-2,4-dicarboxylate
2-ethyl 4-methyl 3-methyl-5-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 6466-0645 |
| Compound Name: | 2-ethyl 4-methyl 3-methyl-5-(2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanamido)thiophene-2,4-dicarboxylate |
| Molecular Weight: | 553.58 |
| Molecular Formula: | C24 H22 F3 N3 O5 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OC)c(NC(C(C)Sc2nc(cc(C(F)(F)F)n2)c2ccccc2)=O)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0567 |
| logD: | 3.9591 |
| logSw: | -5.4834 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.073 |
| InChI Key: | PKUHJUAYLALZRE-ZDUSSCGKSA-N |