1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-bromobenzoate
Chemical Structure Depiction of
1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-bromobenzoate
1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-bromobenzoate
Compound characteristics
| Compound ID: | Y020-7059 |
| Compound Name: | 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-bromobenzoate |
| Molecular Weight: | 474.31 |
| Molecular Formula: | C24 H16 Br N3 O3 |
| Smiles: | CC1=CC(C)(C)N2C(C(=C(C#N)C#N)c3cc(cc1c23)OC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7353 |
| logD: | 4.7353 |
| logSw: | -4.6686 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.183 |
| InChI Key: | HNKRSGXPQWDKJL-UHFFFAOYSA-N |