N-[6-bromo-2-(2-hydroxy-5-methoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[6-bromo-2-(2-hydroxy-5-methoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[6-bromo-2-(2-hydroxy-5-methoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-5560 |
| Compound Name: | N-[6-bromo-2-(2-hydroxy-5-methoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 512.32 |
| Molecular Formula: | C23 H18 Br N3 O6 |
| Smiles: | COc1ccc(c(c1)C1Nc2ccc(cc2C(N1NC(c1ccc2c(c1)OCO2)=O)=O)[Br])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0751 |
| logD: | 3.0316 |
| logSw: | -4.027 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.952 |
| InChI Key: | VHOVVJSETBDMEB-OAQYLSRUSA-N |