2''-amino-6',6',7''-trimethyl-2',5''-dioxo-5',6'-dihydro-2'H,5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-3''-carbonitrile
Chemical Structure Depiction of
2''-amino-6',6',7''-trimethyl-2',5''-dioxo-5',6'-dihydro-2'H,5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-3''-carbonitrile
2''-amino-6',6',7''-trimethyl-2',5''-dioxo-5',6'-dihydro-2'H,5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-3''-carbonitrile
Compound characteristics
| Compound ID: | Y020-7832 |
| Compound Name: | 2''-amino-6',6',7''-trimethyl-2',5''-dioxo-5',6'-dihydro-2'H,5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-3''-carbonitrile |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C27 H27 N3 O4 |
| Smiles: | CC1=CC2=C(C(=O)O1)C1(C(C#N)=C(N)O2)C(N2c3c(cccc13)C(C)(C)CC21CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7829 |
| logD: | 3.7829 |
| logSw: | -4.1781 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.625 |
| InChI Key: | NTCSXOIVCVVQFY-HHHXNRCGSA-N |