N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | Y500-8412 |
| Compound Name: | N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 549.92 |
| Molecular Formula: | C27 H18 Cl F2 N5 O4 |
| Smiles: | Cc1cc(ccc1[Cl])Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cnn2c(cc(c3ccccc3)nc12)C(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2105 |
| logD: | 7.199 |
| logSw: | -6.3502 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.388 |
| InChI Key: | ATTJDNVMPIKGJM-UHFFFAOYSA-N |