6-(4-chlorophenyl)-8-fluoro-4,4,6-trimethyl-1-[4-oxo-3-(prop-2-yn-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Chemical Structure Depiction of
6-(4-chlorophenyl)-8-fluoro-4,4,6-trimethyl-1-[4-oxo-3-(prop-2-yn-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
6-(4-chlorophenyl)-8-fluoro-4,4,6-trimethyl-1-[4-oxo-3-(prop-2-yn-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Compound characteristics
Compound ID: | Y021-3427 |
Compound Name: | 6-(4-chlorophenyl)-8-fluoro-4,4,6-trimethyl-1-[4-oxo-3-(prop-2-yn-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one |
Molecular Weight: | 511.04 |
Molecular Formula: | C26 H20 Cl F N2 O2 S2 |
Smiles: | CC1(CC(C)(C)N2C(C(=C3/C(N(CC#C)C(=S)S3)=O)/c3cc(cc1c23)F)=O)c1ccc(cc1)[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 6.1621 |
logD: | 6.1621 |
logSw: | -6.0799 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 32.875 |
InChI Key: | HZCAORIWBSTTII-SANMLTNESA-N |