3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0382 |
| Compound Name: | 3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4295 |
| logD: | 2.4285 |
| logSw: | -3.0428 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.3 |
| InChI Key: | OGPZYOTUTBKMLS-UHFFFAOYSA-N |