methyl 2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0569 |
| Compound Name: | methyl 2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 697.79 |
| Molecular Formula: | C32 H38 F3 N3 O7 S2 |
| Smiles: | CCC(C)(C)C1CCc2c(C(=O)OC)c(NC(CCCS(c3nc(cc(C(F)(F)F)n3)c3ccc(c(c3)OC)OC)(=O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.755 |
| logD: | 2.6165 |
| logSw: | -5.5443 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.151 |
| InChI Key: | NEADJQLIQRZYBS-LJQANCHMSA-N |