methyl {9-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate
Chemical Structure Depiction of
methyl {9-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate
methyl {9-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate
Compound characteristics
| Compound ID: | D144-0288 |
| Compound Name: | methyl {9-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C23 H21 N O7 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc1c2CN(Cc2ccc3c(c2)OCO3)CO1 |
| Stereo: | ACHIRAL |
| logP: | 3.3534 |
| logD: | 2.4233 |
| logSw: | -3.7241 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.123 |
| InChI Key: | DPYPWVAZZKVNCT-UHFFFAOYSA-N |