3-(3,4-dimethoxyphenyl)-9-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-9-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
3-(3,4-dimethoxyphenyl)-9-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | Y040-5452 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-9-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C29 H34 N2 O5 |
| Smiles: | [H][C@@]12CCCCN2CCC[C@H]1CN1Cc2c(ccc3C=C(C(=O)Oc23)c2ccc(c(c2)OC)OC)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7078 |
| logD: | 2.0588 |
| logSw: | -4.1579 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.769 |
| InChI Key: | XXGIITQBNOMKHF-QPPBQGQZSA-N |