methyl 4-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
methyl 4-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 3229-2799 |
| Compound Name: | methyl 4-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 328.34 |
| Molecular Formula: | C16 H12 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)c1ccc(\C=C2/C(NC(N2)=S)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1185 |
| logD: | 3.0957 |
| logSw: | -3.5293 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.038 |
| InChI Key: | ZHFGXQHEXMNSEA-UHFFFAOYSA-N |