6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(3-chlorophenyl)methyl]hexanamide
Chemical Structure Depiction of
6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(3-chlorophenyl)methyl]hexanamide
6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(3-chlorophenyl)methyl]hexanamide
Compound characteristics
| Compound ID: | K284-4133 |
| Compound Name: | 6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(3-chlorophenyl)methyl]hexanamide |
| Molecular Weight: | 494.84 |
| Molecular Formula: | C21 H21 Br Cl N3 O2 S |
| Smiles: | C(CCC(NCc1cccc(c1)[Cl])=O)CCN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8958 |
| logD: | 4.831 |
| logSw: | -4.778 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.768 |
| InChI Key: | VDHWECXYFBGFEO-UHFFFAOYSA-N |