6-(morpholin-4-yl)-3-{6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-(morpholin-4-yl)-3-{6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-(morpholin-4-yl)-3-{6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6427 |
| Compound Name: | 6-(morpholin-4-yl)-3-{6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 566.68 |
| Molecular Formula: | C28 H34 N6 O5 S |
| Smiles: | C(CCC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)CCN1C(c2cc(ccc2NC1=S)N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3385 |
| logD: | 3.3368 |
| logSw: | -3.6917 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.692 |
| InChI Key: | ILZSVGCJJPSSJC-UHFFFAOYSA-N |