5-(4-bromophenyl)-N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
5-(4-bromophenyl)-N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
5-(4-bromophenyl)-N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | Y508-7823 |
| Compound Name: | 5-(4-bromophenyl)-N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 642.43 |
| Molecular Formula: | C29 H23 Br F3 N5 O4 |
| Smiles: | C1Cc2ccc(cc2C1)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cc2NC(CC(C(F)(F)F)n2n1)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 8.0348 |
| logD: | 8.0338 |
| logSw: | -6.1163 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.273 |
| InChI Key: | VAVPYYZCKUMCKD-UHFFFAOYSA-N |