7-({[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
7-({[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
7-({[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0382 |
| Compound Name: | 7-({[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 496.93 |
| Molecular Formula: | C22 H17 Cl N6 O4 S |
| Smiles: | COc1ccc(cc1OC)c1cc2C(NN=C(n2n1)SCc1nc(c2cccc(c2)[Cl])no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7971 |
| logD: | 4.7956 |
| logSw: | -4.9103 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.918 |
| InChI Key: | JQRKVQNQGZGGHZ-UHFFFAOYSA-N |