5-[(2H-1-benzopyran-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of
5-[(2H-1-benzopyran-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
5-[(2H-1-benzopyran-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Compound characteristics
| Compound ID: | Y070-1681 |
| Compound Name: | 5-[(2H-1-benzopyran-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| Molecular Weight: | 258.3 |
| Molecular Formula: | C13 H10 N2 O2 S |
| Smiles: | C1C(=Cc2ccccc2O1)\C=C1/C(NC(N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2833 |
| logD: | 1.6995 |
| logSw: | -2.8202 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.664 |
| InChI Key: | JPXXHJPURDEAHA-UHFFFAOYSA-N |