4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(2-phenylethyl)benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(2-phenylethyl)benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(2-phenylethyl)benzamide
Compound characteristics
| Compound ID: | K284-4019 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(2-phenylethyl)benzamide |
| Molecular Weight: | 494.41 |
| Molecular Formula: | C24 H20 Br N3 O2 S |
| Smiles: | C(CNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7295 |
| logD: | 4.7077 |
| logSw: | -4.7573 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.573 |
| InChI Key: | MBMXXKWEQJSODW-UHFFFAOYSA-N |