[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone
[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone
Compound characteristics
Compound ID: | D116-0029 |
Compound Name: | [3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl](3,4,5-trimethoxyphenyl)methanone |
Molecular Weight: | 440.48 |
Molecular Formula: | C21 H20 N4 O5 S |
Smiles: | COc1cc(cc(c1OC)OC)C(n1c(NCc2cccs2)nc(c2ccco2)n1)=O |
Stereo: | ACHIRAL |
logP: | 3.1265 |
logD: | 3.1265 |
logSw: | -3.338 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.802 |
InChI Key: | HKHIRSCZKHHLBJ-UHFFFAOYSA-N |