methyl 2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}benzoate
Chemical Structure Depiction of
methyl 2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}benzoate
methyl 2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}benzoate
Compound characteristics
| Compound ID: | C071-0518 |
| Compound Name: | methyl 2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}benzoate |
| Molecular Weight: | 567.54 |
| Molecular Formula: | C25 H24 F3 N3 O7 S |
| Smiles: | COC(c1ccccc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccc(c(c1)OC)OC)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3044 |
| logD: | 3.1589 |
| logSw: | -3.7888 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.739 |
| InChI Key: | PWLKQQUHNRKBGT-UHFFFAOYSA-N |