3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V025-5390 |
| Compound Name: | 3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethylpyrimidin-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: | CCc1cc(nc(n1)SCc1cccc(c1)C(NCC1CCCO1)=O)N1CCN(CC1)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7849 |
| logD: | 5.7845 |
| logSw: | -5.9263 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.698 |
| InChI Key: | GNHFWPDAWKPPQH-XMMPIXPASA-N |