4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-4015 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide |
| Molecular Weight: | 510.41 |
| Molecular Formula: | C24 H20 Br N3 O3 S |
| Smiles: | COc1ccc(CNC(c2ccc(CN3C(c4cc(ccc4NC3=S)[Br])=O)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7783 |
| logD: | 4.7565 |
| logSw: | -4.4867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.275 |
| InChI Key: | DWVSSWUKDSFLPS-UHFFFAOYSA-N |