3-{6-[4-(4-acetylphenyl)piperazin-1-yl]-6-oxohexyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{6-[4-(4-acetylphenyl)piperazin-1-yl]-6-oxohexyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{6-[4-(4-acetylphenyl)piperazin-1-yl]-6-oxohexyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4155 |
| Compound Name: | 3-{6-[4-(4-acetylphenyl)piperazin-1-yl]-6-oxohexyl}-6-bromo-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 557.51 |
| Molecular Formula: | C26 H29 Br N4 O3 S |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(CCCCCN1C(c2cc(ccc2NC1=S)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2028 |
| logD: | 4.138 |
| logSw: | -4.0994 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.776 |
| InChI Key: | QSOOKJYMORSLHM-UHFFFAOYSA-N |