3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
Compound characteristics
| Compound ID: | D144-0654 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methoxyphenyl)-10-methyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C27 H23 N O6 |
| Smiles: | Cc1c2c(CN(Cc3ccc4c(c3)OCO4)CO2)cc2C(=CC(=O)Oc12)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8895 |
| logD: | 3.808 |
| logSw: | -4.6399 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.986 |
| InChI Key: | QMQQBYQVVTUSHU-UHFFFAOYSA-N |