methyl 9-methyl-2-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Chemical Structure Depiction of
methyl 9-methyl-2-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
methyl 9-methyl-2-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Compound characteristics
| Compound ID: | Y503-1952 |
| Compound Name: | methyl 9-methyl-2-[5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate |
| Molecular Weight: | 519.53 |
| Molecular Formula: | C21 H16 F3 N7 O2 S2 |
| Smiles: | Cc1c2c3nc(c4cc5NC(CC(C(F)(F)F)n5n4)c4cccs4)nn3cnc2sc1C(=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3272 |
| logD: | 4.3256 |
| logSw: | -4.5606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.839 |
| InChI Key: | UUZHWWYGAALDMS-UHFFFAOYSA-N |