7-hydroxy-3-(4-methoxyphenyl)-8-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-hydroxy-3-(4-methoxyphenyl)-8-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
7-hydroxy-3-(4-methoxyphenyl)-8-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-6278 |
| Compound Name: | 7-hydroxy-3-(4-methoxyphenyl)-8-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C28 H34 N2 O4 |
| Smiles: | CN(Cc1c(ccc2C=C(C(=O)Oc12)c1ccc(cc1)OC)O)C[C@@H]1CCCN2CCCC[C@H]12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8913 |
| logD: | 2.359 |
| logSw: | -3.9314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.859 |
| InChI Key: | XERJQGMUQHINDR-BWKNWUBXSA-N |