4,4,6-trimethyl-2-oxo-1-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-(3-nitrophenyl)prop-2-enoate
Chemical Structure Depiction of
4,4,6-trimethyl-2-oxo-1-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-(3-nitrophenyl)prop-2-enoate
4,4,6-trimethyl-2-oxo-1-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-(3-nitrophenyl)prop-2-enoate
Compound characteristics
| Compound ID: | Y020-7004 |
| Compound Name: | 4,4,6-trimethyl-2-oxo-1-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-(3-nitrophenyl)prop-2-enoate |
| Molecular Weight: | 516.53 |
| Molecular Formula: | C26 H20 N4 O6 S |
| Smiles: | CC1=CC(C)(C)N2C(C(=C3/C(NC(N3)=S)=O)/c3cc(cc1c23)OC(/C=C/c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8951 |
| logD: | 3.6933 |
| logSw: | -4.2388 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.333 |
| InChI Key: | YENKMJLVZYLNJH-UHFFFAOYSA-N |