4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(morpholin-4-yl)ethyl]benzamide
Chemical Structure Depiction of
4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(morpholin-4-yl)ethyl]benzamide
4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(morpholin-4-yl)ethyl]benzamide
Compound characteristics
Compound ID: | V003-5315 |
Compound Name: | 4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[2-(morpholin-4-yl)ethyl]benzamide |
Molecular Weight: | 581.18 |
Molecular Formula: | C30 H37 Cl N6 O2 S |
Salt: | not_available |
Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1ccccc1[Cl])SCc1ccc(cc1)C(NCCN1CCOCC1)=O |
Stereo: | ACHIRAL |
logP: | 4.6639 |
logD: | 4.6498 |
logSw: | -4.6761 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.328 |
InChI Key: | KBSRAPHTRBISLZ-UHFFFAOYSA-N |