{3-[(4-bromo-3-methylphenyl)carbamoyl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl 2-methylpropanoate
Chemical Structure Depiction of
{3-[(4-bromo-3-methylphenyl)carbamoyl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl 2-methylpropanoate
{3-[(4-bromo-3-methylphenyl)carbamoyl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl 2-methylpropanoate
Compound characteristics
| Compound ID: | G429-0261 |
| Compound Name: | {3-[(4-bromo-3-methylphenyl)carbamoyl]-8-methyl-2-oxo-2H-pyrano[2,3-c]pyridin-5-yl}methyl 2-methylpropanoate |
| Molecular Weight: | 473.32 |
| Molecular Formula: | C22 H21 Br N2 O5 |
| Smiles: | CC(C)C(=O)OCc1cnc(C)c2c1C=C(C(Nc1ccc(c(C)c1)[Br])=O)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.3423 |
| logD: | 4.3317 |
| logSw: | -4.3099 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.779 |
| InChI Key: | WQOBKLKXMQWFBT-UHFFFAOYSA-N |