3-{6-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{6-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{6-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-1134 |
| Compound Name: | 3-{6-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxohexyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CCCCCN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7002 |
| logD: | 3.6988 |
| logSw: | -3.9791 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.279 |
| InChI Key: | CZEPVNGTMYAPNB-UHFFFAOYSA-N |