2''-amino-6',6',7''-trimethyl-3''-propanoyl-5',6'-dihydro-2'H,5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-2',5''-dione
Chemical Structure Depiction of
2''-amino-6',6',7''-trimethyl-3''-propanoyl-5',6'-dihydro-2'H,5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-2',5''-dione
2''-amino-6',6',7''-trimethyl-3''-propanoyl-5',6'-dihydro-2'H,5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-2',5''-dione
Compound characteristics
| Compound ID: | Y021-2644 |
| Compound Name: | 2''-amino-6',6',7''-trimethyl-3''-propanoyl-5',6'-dihydro-2'H,5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-2',5''-dione |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C29 H32 N2 O5 |
| Smiles: | CCC(C1=C(N)OC2C=C(C)OC(C=2C12C(N1c3c(cccc23)C(C)(C)CC12CCCCC2)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1624 |
| logD: | 4.1624 |
| logSw: | -4.5216 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.816 |
| InChI Key: | DWPDLOSSTRNCPO-LJAQVGFWSA-N |