3-{5-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
3-{5-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 3172-0546 |
| Compound Name: | 3-{5-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C19 H18 N2 O4 S |
| Smiles: | CCN1C(=C/c2ccc(c3cccc(c3)C(O)=O)o2)\C(N(CC)C1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9717 |
| logD: | 0.459 |
| logSw: | -3.9926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.846 |
| InChI Key: | ZKYQMMPDUISYSM-PTNGSMBKSA-N |