3-benzyl-5-hydroxy-6-{[(2-methoxyethyl){[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino]methyl}-4,7-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-5-hydroxy-6-{[(2-methoxyethyl){[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino]methyl}-4,7-dimethyl-2H-1-benzopyran-2-one
3-benzyl-5-hydroxy-6-{[(2-methoxyethyl){[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino]methyl}-4,7-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-6292 |
| Compound Name: | 3-benzyl-5-hydroxy-6-{[(2-methoxyethyl){[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino]methyl}-4,7-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 518.7 |
| Molecular Formula: | C32 H42 N2 O4 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(C)c(CN(CCOC)C[C@@H]3CCCN4CCCC[C@H]34)c(c12)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1358 |
| logD: | 3.6201 |
| logSw: | -5.0858 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.751 |
| InChI Key: | KYAGWBTWNCTHTG-NAKRPHOHSA-N |