8-fluoro-4,4,6-trimethyl-1-[4-oxo-3-(prop-2-yn-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Chemical Structure Depiction of
8-fluoro-4,4,6-trimethyl-1-[4-oxo-3-(prop-2-yn-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
8-fluoro-4,4,6-trimethyl-1-[4-oxo-3-(prop-2-yn-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Compound characteristics
| Compound ID: | Y021-3426 |
| Compound Name: | 8-fluoro-4,4,6-trimethyl-1-[4-oxo-3-(prop-2-yn-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C26 H21 F N2 O2 S2 |
| Smiles: | CC1(CC(C)(C)N2C(C(=C3/C(N(CC#C)C(=S)S3)=O)/c3cc(cc1c23)F)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4623 |
| logD: | 5.4623 |
| logSw: | -5.4714 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 32.875 |
| InChI Key: | LLHMWGGYCYWLHX-SANMLTNESA-N |