ethyl 3-(2-{[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
ethyl 3-(2-{[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F424-0749 |
| Compound Name: | ethyl 3-(2-{[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C20 H17 N5 O4 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(CSC1=NNC(c2cc(c3cccs3)nn12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9328 |
| logD: | 3.9312 |
| logSw: | -3.9258 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.236 |
| InChI Key: | UMZJIUQAOHHLQM-UHFFFAOYSA-N |