6-bromo-3-{6-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-bromo-3-{6-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-bromo-3-{6-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-4157 |
| Compound Name: | 6-bromo-3-{6-[4-(furan-2-carbonyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 533.44 |
| Molecular Formula: | C23 H25 Br N4 O4 S |
| Smiles: | C(CCC(N1CCN(CC1)C(c1ccco1)=O)=O)CCN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1121 |
| logD: | 3.0472 |
| logSw: | -3.4288 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.723 |
| InChI Key: | HKPFKIOZWRUTSB-UHFFFAOYSA-N |