N-[6-bromo-4-oxo-2-(3-phenoxyphenyl)-1,4-dihydroquinazolin-3(2H)-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[6-bromo-4-oxo-2-(3-phenoxyphenyl)-1,4-dihydroquinazolin-3(2H)-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[6-bromo-4-oxo-2-(3-phenoxyphenyl)-1,4-dihydroquinazolin-3(2H)-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-5594 |
| Compound Name: | N-[6-bromo-4-oxo-2-(3-phenoxyphenyl)-1,4-dihydroquinazolin-3(2H)-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 558.39 |
| Molecular Formula: | C28 H20 Br N3 O5 |
| Smiles: | C1Oc2ccc(cc2O1)C(NN1C(c2cccc(c2)Oc2ccccc2)Nc2ccc(cc2C1=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9108 |
| logD: | 4.8673 |
| logSw: | -6.0441 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.607 |
| InChI Key: | FIUMWOQJTCHMTD-AREMUKBSSA-N |