3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7336 |
| Compound Name: | 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 503.06 |
| Molecular Formula: | C25 H31 Cl N4 O3 S |
| Smiles: | CCOc1cc2C(N(CCCN3CCN(CC3)c3cccc(c3)[Cl])C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8222 |
| logD: | 3.379 |
| logSw: | -4.2021 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.96 |
| InChI Key: | GKPYDGDJPALWPT-UHFFFAOYSA-N |