propyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-9355 |
| Compound Name: | propyl 2-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 443.49 |
| Molecular Formula: | C20 H24 F3 N3 O3 S |
| Smiles: | CCCOC(c1c2CCCCCc2sc1NC(Cn1c(C)cc(C(F)(F)F)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6366 |
| logD: | 2.2901 |
| logSw: | -4.5818 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.41 |
| InChI Key: | HQNQZCDHFHENSE-UHFFFAOYSA-N |