9-[(2H-1,3-benzodioxol-5-yl)methyl]-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]-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | E754-1187 |
| Compound Name: | 9-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 351.36 |
| Molecular Formula: | C20 H17 N O5 |
| Smiles: | CC1=CC(=O)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 |
| Stereo: | ACHIRAL |
| logP: | 3.3331 |
| logD: | 2.403 |
| logSw: | -3.7708 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.03 |
| InChI Key: | VPYNGHOUDYJFNA-UHFFFAOYSA-N |