3-{5-[(1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[(1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
3-{5-[(1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 5791-5620 |
| Compound Name: | 3-{5-[(1-cyclohexyl-3-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | CN1C(=C/c2ccc(c3cccc(c3)C(O)=O)o2)\C(N(C2CCCCC2)C1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7411 |
| logD: | 1.2284 |
| logSw: | -4.3845 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.112 |
| InChI Key: | UQWJCBDJNLBQKT-UHFFFAOYSA-N |