butyl 2-chloro-5-{5-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
butyl 2-chloro-5-{5-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoate
butyl 2-chloro-5-{5-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2000-0109 |
| Compound Name: | butyl 2-chloro-5-{5-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 421.92 |
| Molecular Formula: | C19 H16 Cl N O4 S2 |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])c1ccc(/C=C2/C(NC(=S)S2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0666 |
| logD: | 3.675 |
| logSw: | -5.2445 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.518 |
| InChI Key: | XOOXDZSVHTXSME-UHFFFAOYSA-N |