2-amino-6',7,7-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''-cyclohexane]-3-carbonitrile
Chemical Structure Depiction of
2-amino-6',7,7-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''-cyclohexane]-3-carbonitrile
2-amino-6',7,7-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''-cyclohexane]-3-carbonitrile
Compound characteristics
| Compound ID: | Y020-6443 |
| Compound Name: | 2-amino-6',7,7-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''-cyclohexane]-3-carbonitrile |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C28 H31 N3 O3 |
| Smiles: | CC1CC2(CCCCC2)N2C(C3(C(C#N)=C(N)OC4CC(C)(C)CC(C3=4)=O)c3cccc1c23)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9192 |
| logD: | 3.9192 |
| logSw: | -4.2583 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.339 |
| InChI Key: | RLIDMCYUAMGURR-UHFFFAOYSA-N |