methyl 2-{2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamido}benzoate
methyl 2-{2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | 6466-0080 |
| Compound Name: | methyl 2-{2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 367.33 |
| Molecular Formula: | C17 H16 F3 N3 O3 |
| Smiles: | COC(c1ccccc1NC(Cn1c2CCCc2c(C(F)(F)F)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.609 |
| logD: | 2.582 |
| logSw: | -3.1717 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.611 |
| InChI Key: | QTVNMBRSHMLISR-UHFFFAOYSA-N |