methyl 2-chloro-5-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
methyl 2-chloro-5-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2083-2004 |
| Compound Name: | methyl 2-chloro-5-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 362.79 |
| Molecular Formula: | C16 H11 Cl N2 O4 S |
| Smiles: | COC(c1cc(ccc1[Cl])c1ccc(\C=C2/C(NC(N2)=S)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5858 |
| logD: | 3.563 |
| logSw: | -4.0987 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.038 |
| InChI Key: | PGUUOZSDFWQNNB-KPKJPENVSA-N |