2-(3,4-dimethoxyphenyl)-7-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-7-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
2-(3,4-dimethoxyphenyl)-7-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0347 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-7-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 462.45 |
| Molecular Formula: | C21 H17 F3 N4 O3 S |
| Smiles: | COc1ccc(cc1OC)c1cc2C(NN=C(n2n1)SCc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3462 |
| logD: | 4.3451 |
| logSw: | -4.4443 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.575 |
| InChI Key: | OCIOLODSIQXHGW-UHFFFAOYSA-N |