{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V003-5292 |
| Compound Name: | {4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 522.11 |
| Molecular Formula: | C28 H32 Cl N5 O S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1ccccc1[Cl])SCc1ccc(cc1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7194 |
| logD: | 5.7177 |
| logSw: | -5.8014 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.196 |
| InChI Key: | BLKCVHLDKPBHPI-UHFFFAOYSA-N |