{3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-2-[(4-ethoxyphenyl)imino]-8-methyl-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate
Chemical Structure Depiction of
{3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-2-[(4-ethoxyphenyl)imino]-8-methyl-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate
{3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-2-[(4-ethoxyphenyl)imino]-8-methyl-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate
Compound characteristics
| Compound ID: | K227-0894 |
| Compound Name: | {3-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-2-[(4-ethoxyphenyl)imino]-8-methyl-2H-pyrano[2,3-c]pyridin-5-yl}methyl acetate |
| Molecular Weight: | 515.52 |
| Molecular Formula: | C28 H25 N3 O7 |
| Smiles: | CCOc1ccc(cc1)/N=C1/C(=Cc2c(COC(C)=O)cnc(C)c2O1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.918 |
| logD: | 3.9176 |
| logSw: | -3.9968 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.905 |
| InChI Key: | XPNBSQAXSWFXQY-UHFFFAOYSA-N |