ethyl 2-{3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamido}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamido}-4,5-dimethylthiophene-3-carboxylate
ethyl 2-{3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamido}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0309 |
| Compound Name: | ethyl 2-{3-[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]propanamido}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 585.58 |
| Molecular Formula: | C24 H22 F3 N3 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CCS(c1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5344 |
| logD: | 2.3642 |
| logSw: | -4.4826 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.665 |
| InChI Key: | AOOFMIMGFMRZNF-UHFFFAOYSA-N |