2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | 8019-8142 |
| Compound Name: | 2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C17 H18 F N5 O3 S |
| Smiles: | COCCCNC(CSC1NC(n2c(c(cn2)c2ccc(cc2)F)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8821 |
| logD: | 1.865 |
| logSw: | -2.6787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.218 |
| InChI Key: | NWHXULACHAFIQH-UHFFFAOYSA-N |