diethyl 3-methyl-5-{2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamido}thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-{2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamido}thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-{2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamido}thiophene-2,4-dicarboxylate
Compound characteristics
Compound ID: | 6466-0112 |
Compound Name: | diethyl 3-methyl-5-{2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamido}thiophene-2,4-dicarboxylate |
Molecular Weight: | 473.47 |
Molecular Formula: | C20 H22 F3 N3 O5 S |
Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(Cn1c2CCCc2c(C(F)(F)F)n1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.4442 |
logD: | 1.2753 |
logSw: | -3.7592 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.436 |
InChI Key: | KIMAFEFRDFLYJL-UHFFFAOYSA-N |