2-amino-6',6',8'-trimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-2'H-dispiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cycloheptane]-3-carbonitrile
Chemical Structure Depiction of
2-amino-6',6',8'-trimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-2'H-dispiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cycloheptane]-3-carbonitrile
2-amino-6',6',8'-trimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-2'H-dispiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cycloheptane]-3-carbonitrile
Compound characteristics
| Compound ID: | Y020-7834 |
| Compound Name: | 2-amino-6',6',8'-trimethyl-2',5-dioxo-5,5',6,6',7,8-hexahydro-2'H-dispiro[[1]benzopyran-4,1'-pyrrolo[3,2,1-ij]quinoline-4',1''-cycloheptane]-3-carbonitrile |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C29 H33 N3 O3 |
| Smiles: | Cc1cc2c3c(c1)C1(C(C#N)=C(N)OC4CCCC(C1=4)=O)C(N3C1(CCCCCC1)CC2(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7641 |
| logD: | 4.7641 |
| logSw: | -4.7641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.67 |
| InChI Key: | FXXIEUHNLPMOGU-GDLZYMKVSA-N |