N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | Y508-6953 |
| Compound Name: | N-{3-[5-methyl-2-(propan-2-yl)phenoxy]-5-nitrophenyl}-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 585.6 |
| Molecular Formula: | C28 H26 F3 N5 O4 S |
| Smiles: | CC(C)c1ccc(C)cc1Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cnn2C(CC(c3cccs3)Nc12)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 7.2255 |
| logD: | 7.2222 |
| logSw: | -5.4559 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.84 |
| InChI Key: | ULWAOZOHXJLMQM-UHFFFAOYSA-N |