1-(4-ethoxyphenyl)-3-{[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]amino}pyrrolidine-2,5-dione
Chemical Structure Depiction of
1-(4-ethoxyphenyl)-3-{[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]amino}pyrrolidine-2,5-dione
1-(4-ethoxyphenyl)-3-{[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]amino}pyrrolidine-2,5-dione
Compound characteristics
Compound ID: | 8014-8471 |
Compound Name: | 1-(4-ethoxyphenyl)-3-{[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]amino}pyrrolidine-2,5-dione |
Molecular Weight: | 423.49 |
Molecular Formula: | C21 H21 N5 O3 S |
Smiles: | CCOc1ccc(cc1)N1C(CC(C1=O)NCc1nnc(n1c1ccccc1)S)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 0.6698 |
logD: | -0.5895 |
logSw: | -1.8085 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.5 |
InChI Key: | XYYDPICBESSRTG-KRWDZBQOSA-N |