{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetonitrile
{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | F835-0332 |
| Compound Name: | {[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 343.36 |
| Molecular Formula: | C15 H13 N5 O3 S |
| Smiles: | COc1ccc(cc1OC)c1cc2C(NN=C(n2n1)SCC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5759 |
| logD: | 1.5731 |
| logSw: | -2.3999 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.339 |
| InChI Key: | AXCATRDBDMJAKA-UHFFFAOYSA-N |