3-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)imino]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)imino]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidin-4-one
3-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)imino]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 8011-8726 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-[(2H-1,3-benzodioxol-5-yl)imino]-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-1,3-thiazolidin-4-one |
| Molecular Weight: | 555.52 |
| Molecular Formula: | C28 H17 N3 O8 S |
| Smiles: | C1Oc2ccc(cc2O1)/N=C1/N(C(/C(=C/c2ccc(c3cccc(c3)[N+]([O-])=O)o2)S1)=O)c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.3589 |
| logD: | 6.3589 |
| logSw: | -6.143 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.435 |
| InChI Key: | CKZBZKRQCTVPFN-UHFFFAOYSA-N |