2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)-N-(3-methoxypropyl)-N-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}acetamide
Chemical Structure Depiction of
2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)-N-(3-methoxypropyl)-N-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}acetamide
2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)-N-(3-methoxypropyl)-N-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}acetamide
Compound characteristics
| Compound ID: | Y043-6259 |
| Compound Name: | 2-(3,5-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)-N-(3-methoxypropyl)-N-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}acetamide |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C29 H38 N2 O5 |
| Smiles: | CC1=C(CC(N(CCCOC)C[C@@H]2CCCN3CCCC[C@H]23)=O)C(=O)Oc2cc3c(cc12)c(C)co3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.668 |
| logD: | 1.5038 |
| logSw: | -3.9243 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.075 |
| InChI Key: | UBMPQZDRMHWQBG-BWKNWUBXSA-N |