ethyl 3-(2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
ethyl 3-(2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F424-0154 |
| Compound Name: | ethyl 3-(2-{[2-(4-fluorophenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 467.48 |
| Molecular Formula: | C22 H18 F N5 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC(CSC1=NNC(c2cc(c3ccc(cc3)F)nn12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2978 |
| logD: | 4.2963 |
| logSw: | -4.2401 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.217 |
| InChI Key: | USCJVCKZAMFKBI-UHFFFAOYSA-N |