7-(furan-2-yl)-2-[1-(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-[1-(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-[1-(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: | Y501-2414 |
| Compound Name: | 7-(furan-2-yl)-2-[1-(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: | CC(c1nc2c3c(c4c(cc(C(F)(F)F)nc4s3)c3ccco3)ncn2n1)n1c(C)cc(n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0219 |
| logD: | 4.019 |
| logSw: | -4.3772 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 95.661 |
| InChI Key: | KYOKUGUZAUCTOR-JTQLQIEISA-N |