6-(4-chlorophenyl)-4,4,6-trimethyl-1-[5-oxo-1-(4-phenoxyphenyl)-2-sulfanylideneimidazolidin-4-ylidene]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Chemical Structure Depiction of
6-(4-chlorophenyl)-4,4,6-trimethyl-1-[5-oxo-1-(4-phenoxyphenyl)-2-sulfanylideneimidazolidin-4-ylidene]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
6-(4-chlorophenyl)-4,4,6-trimethyl-1-[5-oxo-1-(4-phenoxyphenyl)-2-sulfanylideneimidazolidin-4-ylidene]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Compound characteristics
| Compound ID: | Y021-3545 |
| Compound Name: | 6-(4-chlorophenyl)-4,4,6-trimethyl-1-[5-oxo-1-(4-phenoxyphenyl)-2-sulfanylideneimidazolidin-4-ylidene]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one |
| Molecular Weight: | 606.14 |
| Molecular Formula: | C35 H28 Cl N3 O3 S |
| Smiles: | CC1(CC(C)(C)N2C(C(=C3/C(N(C(N3)=S)c3ccc(cc3)Oc3ccccc3)=O)/c3cccc1c23)=O)c1ccc(cc1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1471 |
| logD: | 7.0961 |
| logSw: | -6.2933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.247 |
| InChI Key: | YZFBVBISUNZVNO-DHUJRADRSA-N |