(4E)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)(hydroxy)methylidene]-5-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Chemical Structure Depiction of
(4E)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)(hydroxy)methylidene]-5-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
(4E)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)(hydroxy)methylidene]-5-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Compound characteristics
| Compound ID: | IB03-1268 |
| Compound Name: | (4E)-4-[(2,3-dihydro-1,4-benzodioxin-6-yl)(hydroxy)methylidene]-5-{3-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione |
| Molecular Weight: | 657.77 |
| Molecular Formula: | C34 H31 N3 O7 S2 |
| Smiles: | CCOc1cc(ccc1OCC=C)C1/C(=C(/c2ccc3c(c2)OCCO3)O)C(C(N1c1nnc(SCc2ccc(C)cc2)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.06 |
| logD: | 5.06 |
| logSw: | -5.48 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 213.08 |
| InChI Key: | VANUDINXPKNXCS-GDLZYMKVSA-N |