5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]furan-2-carboxamide
5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | V024-8294 |
| Compound Name: | 5-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 556.13 |
| Molecular Formula: | C28 H34 Cl N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1ccc(C(NCC2CCCO2)=O)o1)N1CCN(CC1)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9722 |
| logD: | 5.9719 |
| logSw: | -5.9818 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.045 |
| InChI Key: | JLQZBAPZUMUWGH-HXUWFJFHSA-N |