[7-(2H-1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](5-ethylthiophen-2-yl)methanone
Chemical Structure Depiction of
[7-(2H-1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](5-ethylthiophen-2-yl)methanone
[7-(2H-1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](5-ethylthiophen-2-yl)methanone
Compound characteristics
| Compound ID: | Y501-3144 |
| Compound Name: | [7-(2H-1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl](5-ethylthiophen-2-yl)methanone |
| Molecular Weight: | 448.42 |
| Molecular Formula: | C20 H15 F3 N4 O3 S |
| Smiles: | CCc1ccc(C(C2C(c3ccc4c(c3)OCO4)n3c(NC=2C(F)(F)F)ncn3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9077 |
| logD: | 2.827 |
| logSw: | -4.6378 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.092 |
| InChI Key: | HWADMVRLSJQECL-INIZCTEOSA-N |