methyl 2-{[2-(2,4-dichlorobenzamido)-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-(2,4-dichlorobenzamido)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[2-(2,4-dichlorobenzamido)-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: | 8019-0952 |
| Compound Name: | methyl 2-{[2-(2,4-dichlorobenzamido)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 563.34 |
| Molecular Formula: | C21 H18 Cl2 F6 N2 O3 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(C(F)(F)F)(C(F)(F)F)NC(c1ccc(cc1[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0229 |
| logD: | 0.1367 |
| logSw: | -6.7313 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.747 |
| InChI Key: | TYSNGCOLQGPPEI-UHFFFAOYSA-N |