7-(furan-2-yl)-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
7-(furan-2-yl)-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
7-(furan-2-yl)-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y501-3838 |
| Compound Name: | 7-(furan-2-yl)-2-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 514.44 |
| Molecular Formula: | C21 H13 F3 N8 O3 S |
| Smiles: | Cc1cc(nn1CCc1nc2c3c(c4c(cc(C(F)(F)F)nc4s3)c3ccco3)ncn2n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7019 |
| logD: | 3.6841 |
| logSw: | -4.0872 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 96.542 |
| InChI Key: | JYPHDYYGVVLLLY-UHFFFAOYSA-N |