7-(difluoromethyl)-5-methyl-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
7-(difluoromethyl)-5-methyl-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
7-(difluoromethyl)-5-methyl-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 6466-1366 |
| Compound Name: | 7-(difluoromethyl)-5-methyl-N-{3-nitro-5-[(pyridin-2-yl)sulfanyl]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 457.42 |
| Molecular Formula: | C19 H13 F2 N7 O3 S |
| Smiles: | Cc1cc(C(F)F)n2c(n1)nc(C(Nc1cc(cc(c1)Sc1ccccn1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.9492 |
| logD: | 2.9481 |
| logSw: | -3.4593 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.469 |
| InChI Key: | JBQBIMIMKMVPKF-UHFFFAOYSA-N |