1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-(3-nitrophenyl)prop-2-enoate
Chemical Structure Depiction of
1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-(3-nitrophenyl)prop-2-enoate
1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-(3-nitrophenyl)prop-2-enoate
Compound characteristics
| Compound ID: | Y020-6998 |
| Compound Name: | 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 3-(3-nitrophenyl)prop-2-enoate |
| Molecular Weight: | 466.45 |
| Molecular Formula: | C26 H18 N4 O5 |
| Smiles: | CC1=CC(C)(C)N2C(C(=C(C#N)C#N)c3cc(cc1c23)OC(/C=C/c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.426 |
| logD: | 4.426 |
| logSw: | -4.5985 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 103.97 |
| InChI Key: | YHRLRDBYDBOMIJ-UHFFFAOYSA-N |