2-amino-8'-ethyl-4',4',6'-trimethyl-2',5-dioxo-6'-phenyl-5,5',6,6',7,8-hexahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
Chemical Structure Depiction of
2-amino-8'-ethyl-4',4',6'-trimethyl-2',5-dioxo-6'-phenyl-5,5',6,6',7,8-hexahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
2-amino-8'-ethyl-4',4',6'-trimethyl-2',5-dioxo-6'-phenyl-5,5',6,6',7,8-hexahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
Compound characteristics
| Compound ID: | Y020-6534 |
| Compound Name: | 2-amino-8'-ethyl-4',4',6'-trimethyl-2',5-dioxo-6'-phenyl-5,5',6,6',7,8-hexahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C31 H31 N3 O3 |
| Smiles: | CCc1cc2c3c(c1)C1(C(C#N)=C(N)OC4CCCC(C1=4)=O)C(N3C(C)(C)CC2(C)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8484 |
| logD: | 4.8484 |
| logSw: | -4.862 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.785 |
| InChI Key: | GIBPYHQAWRMZBY-UHFFFAOYSA-N |