N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)phenyl]acetamide
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)phenyl]acetamide
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | K284-7651 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2-[4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)phenyl]acetamide |
| Molecular Weight: | 548.11 |
| Molecular Formula: | C29 H30 Cl N5 O2 S |
| Smiles: | C(CNC(Cc1ccc(cc1)N1C(c2ccccc2NC1=S)=O)=O)CN1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6011 |
| logD: | 3.015 |
| logSw: | -3.9529 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.991 |
| InChI Key: | SYQZTVLPKOJXGL-UHFFFAOYSA-N |