6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-(4-methylcyclohexyl)hexanamide
Chemical Structure Depiction of
6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-(4-methylcyclohexyl)hexanamide
6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-(4-methylcyclohexyl)hexanamide
Compound characteristics
| Compound ID: | K284-4128 |
| Compound Name: | 6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-(4-methylcyclohexyl)hexanamide |
| Molecular Weight: | 466.44 |
| Molecular Formula: | C21 H28 Br N3 O2 S |
| Smiles: | CC1CCC(CC1)NC(CCCCCN1C(c2cc(ccc2NC1=S)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3512 |
| logD: | 5.2864 |
| logSw: | -5.1036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.493 |
| InChI Key: | VSTDQAZVEMDMID-UHFFFAOYSA-N |