3-{5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl}-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl}-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl}-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7643 |
| Compound Name: | 3-{5-[4-(3-chlorophenyl)piperazin-1-yl]-5-oxopentyl}-6,7-diethoxy-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 545.1 |
| Molecular Formula: | C27 H33 Cl N4 O4 S |
| Smiles: | CCOc1cc2C(N(CCCCC(N3CCN(CC3)c3cccc(c3)[Cl])=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6588 |
| logD: | 3.6369 |
| logSw: | -4.0921 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.37 |
| InChI Key: | UHACRNXKCHJGFW-UHFFFAOYSA-N |