methyl {[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate
methyl {[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F835-0570 |
| Compound Name: | methyl {[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetate |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C12 H10 N4 O3 S2 |
| Smiles: | COC(CSC1=NNC(c2cc(c3cccs3)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7708 |
| logD: | 1.7692 |
| logSw: | -2.4702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.183 |
| InChI Key: | XAOUVZIEIXWZOO-UHFFFAOYSA-N |