3-benzyl-6-chloro-7-hydroxy-8-{[(2-methoxyethyl){[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino]methyl}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-6-chloro-7-hydroxy-8-{[(2-methoxyethyl){[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino]methyl}-4-methyl-2H-1-benzopyran-2-one
3-benzyl-6-chloro-7-hydroxy-8-{[(2-methoxyethyl){[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino]methyl}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-6288 |
| Compound Name: | 3-benzyl-6-chloro-7-hydroxy-8-{[(2-methoxyethyl){[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino]methyl}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 539.12 |
| Molecular Formula: | C31 H39 Cl N2 O4 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1cc(c(c2CN(CCOC)C[C@@H]1CCCN2CCCC[C@H]12)O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5507 |
| logD: | 4.035 |
| logSw: | -5.5562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.435 |
| InChI Key: | FBTWTQGHBJQKBD-LXFBAYGMSA-N |