3-{[4-([1,4'-bipiperidine]-1'-carbonyl)phenyl]methyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{[4-([1,4'-bipiperidine]-1'-carbonyl)phenyl]methyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{[4-([1,4'-bipiperidine]-1'-carbonyl)phenyl]methyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4032 |
| Compound Name: | 3-{[4-([1,4'-bipiperidine]-1'-carbonyl)phenyl]methyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 541.51 |
| Molecular Formula: | C26 H29 Br N4 O2 S |
| Smiles: | C1CCN(CC1)C1CCN(CC1)C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5595 |
| logD: | 1.1201 |
| logSw: | -4.247 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.06 |
| InChI Key: | PNZHXDLHBCCQEM-UHFFFAOYSA-N |