N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
Chemical Structure Depiction of
N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
Compound characteristics
| Compound ID: | K284-4131 |
| Compound Name: | N-benzyl-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide |
| Molecular Weight: | 460.39 |
| Molecular Formula: | C21 H22 Br N3 O2 S |
| Smiles: | C(CCC(NCc1ccccc1)=O)CCN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1985 |
| logD: | 4.1336 |
| logSw: | -4.1799 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.768 |
| InChI Key: | UCOIBNJLNKNDAH-UHFFFAOYSA-N |