3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-2405 |
| Compound Name: | 3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 552.14 |
| Molecular Formula: | C29 H34 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1ccccc1[Cl])SCc1cccc(c1)C(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4341 |
| logD: | 5.4324 |
| logSw: | -5.8472 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.25 |
| InChI Key: | JHSPGESTMNSLGB-XMMPIXPASA-N |