2-(5-{[3-(2H-1,3-benzodioxol-5-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-(5-{[3-(2H-1,3-benzodioxol-5-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
2-(5-{[3-(2H-1,3-benzodioxol-5-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | 3601-0606 |
| Compound Name: | 2-(5-{[3-(2H-1,3-benzodioxol-5-yl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 434.43 |
| Molecular Formula: | C22 H14 N2 O6 S |
| Smiles: | C1Oc2ccc(cc2O1)N1C(=N)SC(=C/c2ccc(c3ccccc3C(O)=O)o2)\C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.822 |
| logD: | -0.2309 |
| logSw: | -3.9099 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.462 |
| InChI Key: | HMHHYXVEIIMULW-UHFFFAOYSA-N |