5-hydroxy-3,4,7-trimethyl-6-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
5-hydroxy-3,4,7-trimethyl-6-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
5-hydroxy-3,4,7-trimethyl-6-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-6285 |
| Compound Name: | 5-hydroxy-3,4,7-trimethyl-6-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 398.55 |
| Molecular Formula: | C24 H34 N2 O3 |
| Smiles: | CC1=C(C)c2c(cc(C)c(CN(C)C[C@@H]3CCCN4CCCC[C@H]34)c2O)OC1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.73 |
| logD: | 2.1977 |
| logSw: | -4.0666 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.834 |
| InChI Key: | NOTPYNFNJCRKTB-QUCCMNQESA-N |