N-(1-benzylpiperidin-4-yl)-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
N-(1-benzylpiperidin-4-yl)-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
Compound characteristics
| Compound ID: | K284-4130 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide |
| Molecular Weight: | 543.53 |
| Molecular Formula: | C26 H31 Br N4 O2 S |
| Smiles: | C(CCC(NC1CCN(CC1)Cc1ccccc1)=O)CCN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4467 |
| logD: | 2.889 |
| logSw: | -4.1735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.034 |
| InChI Key: | NQLCPJCEUNPNHN-UHFFFAOYSA-N |