ethyl 6-tert-butyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-tert-butyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-tert-butyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | C071-0566 |
Compound Name: | ethyl 6-tert-butyl-2-{4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 697.79 |
Molecular Formula: | C32 H38 F3 N3 O7 S2 |
Smiles: | CCOC(c1c2CCC(Cc2sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccc(c(c1)OC)OC)(=O)=O)=O)C(C)(C)C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.2289 |
logD: | 3.0903 |
logSw: | -5.5106 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 105.731 |
InChI Key: | PJEOYAIMICJPQD-LJQANCHMSA-N |