4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide
4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V023-6321 |
| Compound Name: | 4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 548.11 |
| Molecular Formula: | C29 H30 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1ccccc1[Cl])SCc1ccc(cc1)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3422 |
| logD: | 6.3405 |
| logSw: | -6.0506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.344 |
| InChI Key: | UWFRAYDTXKZJEB-UHFFFAOYSA-N |