methyl 2-{[2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-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-trifluoro-3-methoxy-3-oxopropan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8019-0951 |
| Compound Name: | methyl 2-{[2-(2,4-dichlorobenzamido)-1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 553.38 |
| Molecular Formula: | C22 H21 Cl2 F3 N2 O5 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(C(=O)OC)(C(F)(F)F)NC(c1ccc(cc1[Cl])[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1331 |
| logD: | 3.0972 |
| logSw: | -6.2869 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.921 |
| InChI Key: | HRYGFFSTTIDLJE-OAQYLSRUSA-N |