2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-5-[(furan-2-yl)methylidene]-3-phenyl-3,5-dihydro-4H-imidazol-4-one
Chemical Structure Depiction of
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-5-[(furan-2-yl)methylidene]-3-phenyl-3,5-dihydro-4H-imidazol-4-one
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-5-[(furan-2-yl)methylidene]-3-phenyl-3,5-dihydro-4H-imidazol-4-one
Compound characteristics
| Compound ID: | 8014-4809 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-5-[(furan-2-yl)methylidene]-3-phenyl-3,5-dihydro-4H-imidazol-4-one |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C25 H21 N3 O3 S |
| Smiles: | C1CN(Cc2ccccc12)C(CSC1=NC(=C\c2ccco2)\C(N1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.932 |
| logD: | 3.9319 |
| logSw: | -4.0305 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.153 |
| InChI Key: | VVSXGWFLVVBMBB-UHFFFAOYSA-N |