3-{5-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
3-{5-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 2027-0309 |
| Compound Name: | 3-{5-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 413.51 |
| Molecular Formula: | C21 H19 N O4 S2 |
| Smiles: | C1CCC(CC1)N1C(/C(=C/c2ccc(c3cccc(c3)C(O)=O)o2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.562 |
| logD: | 2.0493 |
| logSw: | -5.5406 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.642 |
| InChI Key: | XTYZAFJGFIELSU-UHFFFAOYSA-N |