methyl 2-({2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-({2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-5391 |
| Compound Name: | methyl 2-({2-[(ethoxycarbonyl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 462.41 |
| Molecular Formula: | C17 H20 F6 N2 O4 S |
| Smiles: | CCOC(NC(C(F)(F)F)(C(F)(F)F)Nc1c(C(=O)OC)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0826 |
| logD: | 0.7608 |
| logSw: | -4.7629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.099 |
| InChI Key: | IDKJMWZFPMNLBO-UHFFFAOYSA-N |