methyl 4-({2-[(2H-1,3-benzodioxol-5-yl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({2-[(2H-1,3-benzodioxol-5-yl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)benzoate
methyl 4-({2-[(2H-1,3-benzodioxol-5-yl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | K227-0443 |
| Compound Name: | methyl 4-({2-[(2H-1,3-benzodioxol-5-yl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbonyl}amino)benzoate |
| Molecular Weight: | 487.47 |
| Molecular Formula: | C26 H21 N3 O7 |
| Smiles: | Cc1c2c(C=C(/C(=N/c3ccc4c(c3)OCO4)O2)C(Nc2ccc(cc2)C(=O)OC)=O)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 3.3807 |
| logD: | 3.3799 |
| logSw: | -3.6991 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.839 |
| InChI Key: | WWSGNAYSNODDIS-UHFFFAOYSA-N |