N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide
Compound characteristics
Compound ID: | E239-1351 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{4-oxo-2-[5-phenyl-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetamide |
Molecular Weight: | 504.59 |
Molecular Formula: | C25 H20 N4 O4 S2 |
Smiles: | C1C(c2ccccc2)N(C2=NC(C(CC(Nc3ccc4c(c3)OCO4)=O)S2)=O)N=C1c1cccs1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.684 |
logD: | 4.6839 |
logSw: | -4.7486 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.106 |
InChI Key: | UNLRRCGMEDARIL-UHFFFAOYSA-N |