(2-nitrophenyl)methyl 5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Chemical Structure Depiction of
(2-nitrophenyl)methyl 5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
(2-nitrophenyl)methyl 5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | D372-0087 |
| Compound Name: | (2-nitrophenyl)methyl 5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
| Molecular Weight: | 448.38 |
| Molecular Formula: | C19 H11 F3 N4 O4 S |
| Smiles: | C(c1ccccc1[N+]([O-])=O)OC(c1cnn2c(cc(c3cccs3)nc12)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.023 |
| logD: | 5.023 |
| logSw: | -4.9278 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.124 |
| InChI Key: | PUDQYDDNXGBHDQ-UHFFFAOYSA-N |