8-methoxy-3-{1-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-{1-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl}-2H-1-benzopyran-2-one
8-methoxy-3-{1-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K241-0368 |
| Compound Name: | 8-methoxy-3-{1-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C20 H16 N2 O3 S2 |
| Smiles: | COc1cccc2C=C(C3=CN(C(N3)=S)c3cccc(c3)SC)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 3.5942 |
| logD: | 3.5586 |
| logSw: | -4.0089 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.635 |
| InChI Key: | YBIBXPJOEBXKJE-UHFFFAOYSA-N |