ethyl 6-tert-butyl-2-{4-[4-(2-methoxyphenyl)-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-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-tert-butyl-2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C071-0449 |
| Compound Name: | ethyl 6-tert-butyl-2-{4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 667.77 |
| Molecular Formula: | C31 H36 F3 N3 O6 S2 |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(CCCS(c1nc(cc(C(F)(F)F)n1)c1ccccc1OC)(=O)=O)=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2636 |
| logD: | 3.125 |
| logSw: | -5.4573 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.101 |
| InChI Key: | JDEGZWAJOHXYIG-GOSISDBHSA-N |