N-[1-(adamantan-1-yl)ethyl]-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
N-[1-(adamantan-1-yl)ethyl]-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
Compound characteristics
| Compound ID: | K284-4150 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide |
| Molecular Weight: | 532.54 |
| Molecular Formula: | C26 H34 Br N3 O2 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(CCCCCN1C(c2cc(ccc2NC1=S)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8419 |
| logD: | 5.777 |
| logSw: | -5.3035 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.964 |
| InChI Key: | HHHSQWUJDKZNDS-BTVKBFDZSA-N |