9-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
9-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | E754-0657 |
| Compound Name: | 9-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C27 H23 N O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 |
| Stereo: | ACHIRAL |
| logP: | 5.2898 |
| logD: | 4.3597 |
| logSw: | -5.4114 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.273 |
| InChI Key: | OPEHEJPQOFQXTJ-UHFFFAOYSA-N |