6-bromo-3-[6-oxo-6-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)hexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-[6-oxo-6-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)hexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-[6-oxo-6-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)hexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4148 |
| Compound Name: | 6-bromo-3-[6-oxo-6-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)hexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 512.47 |
| Molecular Formula: | C25 H26 Br N3 O2 S |
| Smiles: | C(CCC(N1CCC(=CC1)c1ccccc1)=O)CCN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.471 |
| logD: | 5.4062 |
| logSw: | -5.6472 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.417 |
| InChI Key: | KEAGJXQNWQUAQZ-UHFFFAOYSA-N |