N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8019-8141 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 511.57 |
| Molecular Formula: | C25 H26 F N5 O4 S |
| Smiles: | CCOc1ccc(CCNC(CSC2NC(n3c(c(cn3)c3ccc(cc3)F)N=2)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.1316 |
| logD: | 3.1146 |
| logSw: | -3.3835 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.025 |
| InChI Key: | REZAGTUGNVVXKT-UHFFFAOYSA-N |