3-(4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-(4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-(4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7595 |
| Compound Name: | 3-(4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 491.01 |
| Molecular Formula: | C26 H23 Cl N4 O2 S |
| Smiles: | C(C(N1CCN(CC1)c1cccc(c1)[Cl])=O)c1ccc(cc1)N1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2783 |
| logD: | 4.2725 |
| logSw: | -4.4676 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.088 |
| InChI Key: | WLPBMCCNZOMNIC-UHFFFAOYSA-N |