3-benzyl-5-hydroxy-4,7-dimethyl-6-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-5-hydroxy-4,7-dimethyl-6-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
3-benzyl-5-hydroxy-4,7-dimethyl-6-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-6300 |
| Compound Name: | 3-benzyl-5-hydroxy-4,7-dimethyl-6-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 474.64 |
| Molecular Formula: | C30 H38 N2 O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(C)c(CN(C)C[C@@H]3CCCN4CCCC[C@H]34)c(c12)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1674 |
| logD: | 3.6351 |
| logSw: | -5.1265 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.562 |
| InChI Key: | ZLLVABAJBJUAOJ-BVAGGSTKSA-N |