4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(4-methylphenyl)methyl]butanamide
Chemical Structure Depiction of
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(4-methylphenyl)methyl]butanamide
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-4088 |
| Compound Name: | 4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 446.36 |
| Molecular Formula: | C20 H20 Br N3 O2 S |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3cc(ccc3NC2=S)[Br])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6118 |
| logD: | 3.5469 |
| logSw: | -3.7311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.768 |
| InChI Key: | YRACBYMHWLWKAB-UHFFFAOYSA-N |