5-(2H-1,3-benzodioxol-5-yl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0943 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 611.53 |
| Molecular Formula: | C29 H24 F3 N5 O7 |
| Smiles: | CCOc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cc2NC(CC(C(F)(F)F)n2n1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.667 |
| logD: | 6.666 |
| logSw: | -5.6171 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.226 |
| InChI Key: | HUUKEYFCAKUFAJ-UHFFFAOYSA-N |