6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(4-methylphenyl)methyl]hexanamide
Chemical Structure Depiction of
6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(4-methylphenyl)methyl]hexanamide
6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(4-methylphenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | K284-4137 |
| Compound Name: | 6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(4-methylphenyl)methyl]hexanamide |
| Molecular Weight: | 474.42 |
| Molecular Formula: | C22 H24 Br N3 O2 S |
| Smiles: | Cc1ccc(CNC(CCCCCN2C(c3cc(ccc3NC2=S)[Br])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6219 |
| logD: | 4.557 |
| logSw: | -4.2355 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.768 |
| InChI Key: | AXPOTBOWPSZLPJ-UHFFFAOYSA-N |