3-{6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6421 |
| Compound Name: | 3-{6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-oxohexyl}-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 549.74 |
| Molecular Formula: | C30 H39 N5 O3 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CCCCCN1C(c2cc(ccc2NC1=S)N1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4149 |
| logD: | 4.4131 |
| logSw: | -4.1683 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.009 |
| InChI Key: | KMLNVYUKYBOEGN-UHFFFAOYSA-N |