N-[2-(4-chlorophenyl)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-(4-chlorophenyl)ethyl]-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide
N-[2-(4-chlorophenyl)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: | 8019-8135 |
Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide |
Molecular Weight: | 457.91 |
Molecular Formula: | C21 H17 Cl F N5 O2 S |
Smiles: | C(CNC(CSC1NC(n2c(c(cn2)c2ccc(cc2)F)N=1)=O)=O)c1ccc(cc1)[Cl] |
Stereo: | ACHIRAL |
logP: | 3.718 |
logD: | 3.701 |
logSw: | -4.4627 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.604 |
InChI Key: | SCACWGUIVULRHC-UHFFFAOYSA-N |