3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6406 |
| Compound Name: | 3-{6-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxohexyl}-6-(morpholin-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 556.13 |
| Molecular Formula: | C28 H34 Cl N5 O3 S |
| Smiles: | C(CCC(N1CCN(CC1)c1cccc(c1)[Cl])=O)CCN1C(c2cc(ccc2NC1=S)N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8749 |
| logD: | 3.8732 |
| logSw: | -4.3287 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.31 |
| InChI Key: | CYLUOPCKCSXZBC-UHFFFAOYSA-N |