6-bromo-3-[4-oxo-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-[4-oxo-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-[4-oxo-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4099 |
| Compound Name: | 6-bromo-3-[4-oxo-4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 484.41 |
| Molecular Formula: | C23 H22 Br N3 O2 S |
| Smiles: | C(CC(N1CCC(=CC1)c1ccccc1)=O)CN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4609 |
| logD: | 4.3961 |
| logSw: | -4.2297 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.417 |
| InChI Key: | LBBOWNOTVGXYGP-UHFFFAOYSA-N |