2-(4-ethylphenyl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
2-(4-ethylphenyl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
2-(4-ethylphenyl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0520 |
| Compound Name: | 2-(4-ethylphenyl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 498.49 |
| Molecular Formula: | C23 H17 F3 N6 O2 S |
| Smiles: | CCc1ccc(cc1)c1cc2C(NN=C(n2n1)SCc1nc(c2cccc(c2)C(F)(F)F)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3679 |
| logD: | 6.3663 |
| logSw: | -5.7046 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.657 |
| InChI Key: | YIAXNEQIAMFQIU-UHFFFAOYSA-N |