N-(2-{[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(2-{[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-(2-{[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-2959 |
| Compound Name: | N-(2-{[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 432.42 |
| Molecular Formula: | C16 H19 F3 N6 O3 S |
| Smiles: | CC(C)(C)c1cc(C(F)(F)F)nc(n1)SCCNC(c1c(cn(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6782 |
| logD: | 2.6782 |
| logSw: | -3.0703 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.223 |
| InChI Key: | VLGVRWSFZRBVEL-UHFFFAOYSA-N |