7-(difluoromethyl)-5-(4-methoxyphenyl)-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | Y500-9890 |
| Compound Name: | 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 548.53 |
| Molecular Formula: | C26 H18 F2 N6 O4 S |
| Smiles: | COc1ccc(cc1)c1cc(C(F)F)n2c(c(cn2)C(Nc2cc(cc(c2)Sc2ccccn2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.3311 |
| logD: | 5.3287 |
| logSw: | -5.2386 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.322 |
| InChI Key: | PNSPRWAGHORWQE-UHFFFAOYSA-N |