3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V017-5175 |
| Compound Name: | 3-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 521.66 |
| Molecular Formula: | C28 H32 F N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1cccc(c1)C(NCC1CCCO1)=O)N1CCN(CC1)c1ccccc1F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6911 |
| logD: | 4.6908 |
| logSw: | -4.4293 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.009 |
| InChI Key: | NKOSXDABTWLRPG-HSZRJFAPSA-N |