3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(dimethylamino)ethyl]benzamide
Chemical Structure Depiction of
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(dimethylamino)ethyl]benzamide
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(dimethylamino)ethyl]benzamide
Compound characteristics
Compound ID: | V002-2687 |
Compound Name: | 3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(dimethylamino)ethyl]benzamide |
Molecular Weight: | 525.12 |
Molecular Formula: | C27 H33 Cl N6 O S |
Salt: | not_available |
Smiles: | Cc1cc(nc(n1)SCc1cccc(c1)C(NCCN(C)C)=O)N1CCN(CC1)c1ccccc1[Cl] |
Stereo: | ACHIRAL |
logP: | 4.9724 |
logD: | 4.1331 |
logSw: | -5.0875 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.334 |
InChI Key: | BNAIKWHLTXRCQT-UHFFFAOYSA-N |