methyl 5-carbamoyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-carbamoyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
methyl 5-carbamoyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0555 |
| Compound Name: | methyl 5-carbamoyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 630.62 |
| Molecular Formula: | C25 H25 F3 N4 O8 S2 |
| Smiles: | Cc1c(C(=O)OC)c(NC(CCCS(c2nc(cc(C(F)(F)F)n2)c2ccc(c(c2)OC)OC)(=O)=O)=O)sc1C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2312 |
| logD: | -1.7545 |
| logSw: | -3.1272 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 140.29 |
| InChI Key: | UXHDLVHOBDDACG-UHFFFAOYSA-N |