N-(3-chlorophenyl)-2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | F424-0958 |
Compound Name: | N-(3-chlorophenyl)-2-{[2-(4-ethylphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide |
Molecular Weight: | 439.92 |
Molecular Formula: | C21 H18 Cl N5 O2 S |
Smiles: | CCc1ccc(cc1)c1cc2C(NN=C(n2n1)SCC(Nc1cccc(c1)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.171 |
logD: | 5.1695 |
logSw: | -5.5598 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.464 |
InChI Key: | NXDZFFNBOUSACP-UHFFFAOYSA-N |