butyl 2-chloro-5-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
butyl 2-chloro-5-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
butyl 2-chloro-5-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2000-0105 |
| Compound Name: | butyl 2-chloro-5-{5-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 404.87 |
| Molecular Formula: | C19 H17 Cl N2 O4 S |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])c1ccc(/C=C2/C(NC(N2)=S)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1142 |
| logD: | 5.0913 |
| logSw: | -5.4473 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.912 |
| InChI Key: | HWXWNNQOYKARHH-UHFFFAOYSA-N |