N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide
Compound characteristics
| Compound ID: | C109-0673 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-bromo-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1,2,3,4-tetrahydroquinazoline-4-carboxamide |
| Molecular Weight: | 540.37 |
| Molecular Formula: | C25 H22 Br N3 O6 |
| Smiles: | CCOc1ccc(cc1)N1C(Nc2ccc(cc2C1(C(NCc1ccc2c(c1)OCO2)=O)O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4778 |
| logD: | 4.4778 |
| logSw: | -4.1806 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.344 |
| InChI Key: | PPIBXPMXMHOZKI-RUZDIDTESA-N |