2-amino-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
Chemical Structure Depiction of
2-amino-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
2-amino-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile
Compound characteristics
| Compound ID: | Y020-1338 |
| Compound Name: | 2-amino-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-2'H,4'H-spiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carbonitrile |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C25 H25 N3 O3 |
| Smiles: | CC1=CC(C)(C)N2C(C3(C(C#N)=C(N)OC4CC(C)(C)CC(C3=4)=O)c3cccc1c23)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2625 |
| logD: | 3.2625 |
| logSw: | -3.7447 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.057 |
| InChI Key: | OEAFLJIYCQNYCE-RUZDIDTESA-N |