8-methoxy-3-{2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-{2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl}-2H-1-benzopyran-2-one
8-methoxy-3-{2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K241-0363 |
| Compound Name: | 8-methoxy-3-{2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazol-4-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 418.39 |
| Molecular Formula: | C20 H13 F3 N2 O3 S |
| Smiles: | COc1cccc2C=C(C3=CN(C(N3)=S)c3cccc(c3)C(F)(F)F)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.0225 |
| logD: | 4.0133 |
| logSw: | -4.3749 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.635 |
| InChI Key: | CGKCORQHSGHLHJ-UHFFFAOYSA-N |