N-(3-chloro-4-fluorophenyl)-2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-3501 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 419.82 |
| Molecular Formula: | C17 H11 Cl F N5 O3 S |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)SC1=NC(c2ccco2)=NC2=CC(NN12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5524 |
| logD: | 2.5475 |
| logSw: | -3.4337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.661 |
| InChI Key: | GTCCRHKKUQFZLQ-UHFFFAOYSA-N |