3-{1-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{1-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl}-2H-1-benzopyran-2-one
3-{1-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K241-0361 |
| Compound Name: | 3-{1-[3-(methylsulfanyl)phenyl]-2-sulfanylidene-2,3-dihydro-1H-imidazol-4-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C19 H14 N2 O2 S2 |
| Smiles: | CSc1cccc(c1)N1C=C(C2=Cc3ccccc3OC2=O)NC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.6453 |
| logD: | 3.6097 |
| logSw: | -4.1178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.32 |
| InChI Key: | XDFYWWMVIJXMQR-UHFFFAOYSA-N |