N-[1-(adamantan-1-yl)ethyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
N-[1-(adamantan-1-yl)ethyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Compound characteristics
| Compound ID: | K284-4101 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide |
| Molecular Weight: | 504.49 |
| Molecular Formula: | C24 H30 Br N3 O2 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(CCCN1C(c2cc(ccc2NC1=S)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8318 |
| logD: | 4.7669 |
| logSw: | -4.4722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.964 |
| InChI Key: | VZNRKMJQJWEBRG-IOAHRDFVSA-N |