7-(1,5-dimethyl-1H-pyrazol-4-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-(1,5-dimethyl-1H-pyrazol-4-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-(1,5-dimethyl-1H-pyrazol-4-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: | Y501-3216 |
| Compound Name: | 7-(1,5-dimethyl-1H-pyrazol-4-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: | 542.5 |
| Molecular Formula: | C22 H17 F3 N10 O2 S |
| Smiles: | Cc1cc(nn1CCc1nc2c3c(c4c(cc(C(F)(F)F)nc4s3)c3cnn(C)c3C)ncn2n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1297 |
| logD: | 3.1119 |
| logSw: | -3.4197 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 102.45 |
| InChI Key: | XXULZPAYVBDBNP-UHFFFAOYSA-N |