methyl 4-{5-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
methyl 4-{5-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4169-2490 |
| Compound Name: | methyl 4-{5-[(1,3-diethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 384.45 |
| Molecular Formula: | C20 H20 N2 O4 S |
| Smiles: | CCN1C(=C\c2ccc(c3ccc(cc3)C(=O)OC)o2)\C(N(CC)C1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2735 |
| logD: | 4.2735 |
| logSw: | -4.2882 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 46.612 |
| InChI Key: | LIJNLBVCCBKSFE-UHFFFAOYSA-N |