N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-4014 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide |
| Molecular Weight: | 524.39 |
| Molecular Formula: | C24 H18 Br N3 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.709 |
| logD: | 4.6873 |
| logSw: | -4.6831 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.847 |
| InChI Key: | QNONRTWCJYFMTM-UHFFFAOYSA-N |