1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl benzoate
Chemical Structure Depiction of
1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl benzoate
1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl benzoate
Compound characteristics
| Compound ID: | Y020-7060 |
| Compound Name: | 1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl benzoate |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C24 H19 N3 O3 |
| Smiles: | CC1CC(C)(C)N2C(C(=C(C#N)C#N)c3cc(cc1c23)OC(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4485 |
| logD: | 3.4485 |
| logSw: | -3.8058 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.183 |
| InChI Key: | RCVLYTYWGXRRGA-CQSZACIVSA-N |