tert-butyl {[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate
Chemical Structure Depiction of
tert-butyl {[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate
tert-butyl {[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F835-0351 |
| Compound Name: | tert-butyl {[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C19 H22 N4 O5 S |
| Smiles: | CC(C)(C)OC(CSC1=NNC(c2cc(c3ccc(c(c3)OC)OC)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1231 |
| logD: | 3.1216 |
| logSw: | -3.424 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.115 |
| InChI Key: | HUDPRUBGWQTFGL-UHFFFAOYSA-N |