3-benzyl-7-hydroxy-4,8-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-7-hydroxy-4,8-dimethyl-6-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
3-benzyl-7-hydroxy-4,8-dimethyl-6-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-6284 |
| Compound Name: | 3-benzyl-7-hydroxy-4,8-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)Oc2c1cc(CN(C)C[C@@H]1CCCN3CCCC[C@H]13)c(c2C)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0894 |
| logD: | 3.5571 |
| logSw: | -4.8221 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.247 |
| InChI Key: | AXTNJCUAEQQRPL-KCWPFWIISA-N |