N-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-[(4-chlorophenyl)methyl]-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: | G199-3505 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-{[2-(furan-2-yl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 415.86 |
| Molecular Formula: | C18 H14 Cl N5 O3 S |
| Smiles: | C(c1ccc(cc1)[Cl])NC(CSC1=NC(c2ccco2)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0983 |
| logD: | 2.0983 |
| logSw: | -2.9712 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.983 |
| InChI Key: | KVVUORTVNGVKJG-UHFFFAOYSA-N |