9-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}-3-phenyl-9,10-dihydro-4H,8H-pyrano[2,3-f][1,3]benzoxazin-4-one
Chemical Structure Depiction of
9-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}-3-phenyl-9,10-dihydro-4H,8H-pyrano[2,3-f][1,3]benzoxazin-4-one
9-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}-3-phenyl-9,10-dihydro-4H,8H-pyrano[2,3-f][1,3]benzoxazin-4-one
Compound characteristics
| Compound ID: | Y040-5457 |
| Compound Name: | 9-{[rel-(1R,9aS)-octahydro-2H-quinolizin-1-yl]methyl}-3-phenyl-9,10-dihydro-4H,8H-pyrano[2,3-f][1,3]benzoxazin-4-one |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C27 H30 N2 O3 |
| Smiles: | [H][C@@]12CCCCN2CCC[C@H]1CN1Cc2c(ccc3C(C(=COc23)c2ccccc2)=O)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6706 |
| logD: | 2.0216 |
| logSw: | -4.0322 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.479 |
| InChI Key: | BSKACKTYAIEHIH-YKSBVNFPSA-N |