3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-6275 |
| Compound Name: | 3-benzyl-6-chloro-7-hydroxy-4-methyl-8-[(methyl{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}amino)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 495.06 |
| Molecular Formula: | C29 H35 Cl N2 O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1cc(c(c2CN(C)C[C@@H]1CCCN2CCCC[C@H]12)O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5822 |
| logD: | 4.05 |
| logSw: | -5.5528 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.247 |
| InChI Key: | NCNVYGWVKBBBHL-RLWLMLJZSA-N |