propan-2-yl 5-carbamoyl-2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 5-carbamoyl-2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
propan-2-yl 5-carbamoyl-2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0439 |
| Compound Name: | propan-2-yl 5-carbamoyl-2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 628.65 |
| Molecular Formula: | C26 H27 F3 N4 O7 S2 |
| Smiles: | CC(C)OC(c1c(C)c(C(N)=O)sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccccc1OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1584 |
| logD: | -0.8273 |
| logSw: | -3.7439 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.918 |
| InChI Key: | XBIRQNDDCKKMOU-UHFFFAOYSA-N |