2-[1-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)piperidin-3-yl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-[1-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)piperidin-3-yl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
2-[1-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)piperidin-3-yl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | Y501-0659 |
| Compound Name: | 2-[1-(1-ethyl-3-methyl-1H-pyrazole-4-sulfonyl)piperidin-3-yl]-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 564.61 |
| Molecular Formula: | C23 H23 F3 N8 O2 S2 |
| Smiles: | CCn1cc(c(C)n1)S(N1CCCC(C1)c1nc2c3c(c4c(C)cc(C(F)(F)F)nc4s3)ncn2n1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4354 |
| logD: | 3.4329 |
| logSw: | -3.7577 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.72 |
| InChI Key: | GKOBUIAELGABPY-AWEZNQCLSA-N |