2-amino-8'-ethyl-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-8'-ethyl-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-8'-ethyl-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: | Y020-0985 |
| Compound Name: | 2-amino-8'-ethyl-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: | 443.55 |
| Molecular Formula: | C27 H29 N3 O3 |
| Smiles: | CCc1cc2C(C)=CC(C)(C)N3C(C4(C(C#N)=C(N)OC5CC(C)(C)CC(C4=5)=O)c(c1)c23)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3572 |
| logD: | 4.3572 |
| logSw: | -4.6901 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.057 |
| InChI Key: | JFSCYNSDKYRXPM-HHHXNRCGSA-N |