N-[2-(2H-1,3-benzodioxol-5-yl)-6-bromo-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-(benzyloxy)benzamide
Chemical Structure Depiction of
N-[2-(2H-1,3-benzodioxol-5-yl)-6-bromo-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-(benzyloxy)benzamide
N-[2-(2H-1,3-benzodioxol-5-yl)-6-bromo-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-(benzyloxy)benzamide
Compound characteristics
| Compound ID: | Y500-5556 |
| Compound Name: | N-[2-(2H-1,3-benzodioxol-5-yl)-6-bromo-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-(benzyloxy)benzamide |
| Molecular Weight: | 572.41 |
| Molecular Formula: | C29 H22 Br N3 O5 |
| Smiles: | C(c1ccccc1)Oc1ccc(cc1)C(NN1C(c2ccc3c(c2)OCO3)Nc2ccc(cc2C1=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7207 |
| logD: | 4.1 |
| logSw: | -5.9523 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.087 |
| InChI Key: | MXHKQMLTQHSOQK-HHHXNRCGSA-N |