ethyl 2-[3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6049-1839 |
| Compound Name: | ethyl 2-[3-({[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 535.61 |
| Molecular Formula: | C25 H24 F3 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cccc(CSc2nc(C)cc(C(F)(F)F)n2)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9679 |
| logD: | 1.795 |
| logSw: | -5.4665 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.626 |
| InChI Key: | GYBPRTCBIPGKGV-UHFFFAOYSA-N |