2-chloro-3-hydroxy-4-{[(2-methoxyethyl){[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino]methyl}-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
2-chloro-3-hydroxy-4-{[(2-methoxyethyl){[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino]methyl}-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
2-chloro-3-hydroxy-4-{[(2-methoxyethyl){[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino]methyl}-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | Y043-6289 |
| Compound Name: | 2-chloro-3-hydroxy-4-{[(2-methoxyethyl){[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino]methyl}-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 489.05 |
| Molecular Formula: | C27 H37 Cl N2 O4 |
| Smiles: | COCCN(Cc1c(c(cc2C3CCCCC=3C(=O)Oc12)[Cl])O)C[C@@H]1CCCN2CCCC[C@H]12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7319 |
| logD: | 3.2162 |
| logSw: | -4.5628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.627 |
| InChI Key: | HFNPXFFLCDZSRF-KOSHJBKYSA-N |