3-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4034 |
| Compound Name: | 3-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 548.5 |
| Molecular Formula: | C28 H26 Br N3 O2 S |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1819 |
| logD: | 6.1601 |
| logSw: | -6.0986 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.695 |
| InChI Key: | OIQPFLIPUQSXHY-UHFFFAOYSA-N |