{3-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
{3-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(4-methylpiperazin-1-yl)methanone
{3-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V014-0311 |
| Compound Name: | {3-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 534.7 |
| Molecular Formula: | C29 H35 F N6 O S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(N1CCN(C)CC1)=O)N1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.8873 |
| logD: | 4.7566 |
| logSw: | -4.6635 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.756 |
| InChI Key: | DHZSQUKRSFAZHI-UHFFFAOYSA-N |