N-[2-(2H-1,3-benzodioxol-5-yl)-6-iodo-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-[(prop-2-en-1-yl)oxy]benzamide
Chemical Structure Depiction of
N-[2-(2H-1,3-benzodioxol-5-yl)-6-iodo-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-[(prop-2-en-1-yl)oxy]benzamide
N-[2-(2H-1,3-benzodioxol-5-yl)-6-iodo-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-[(prop-2-en-1-yl)oxy]benzamide
Compound characteristics
| Compound ID: | Y500-5561 |
| Compound Name: | N-[2-(2H-1,3-benzodioxol-5-yl)-6-iodo-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-[(prop-2-en-1-yl)oxy]benzamide |
| Molecular Weight: | 569.35 |
| Molecular Formula: | C25 H20 I N3 O5 |
| Smiles: | C=CCOc1ccc(cc1)C(NN1C(c2ccc3c(c2)OCO3)Nc2ccc(cc2C1=O)I)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5247 |
| logD: | 4.6804 |
| logSw: | -5.8888 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.277 |
| InChI Key: | BMZCSPUYPKVCMM-HSZRJFAPSA-N |