{3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
{3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-0048 |
| Compound Name: | {3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 517.69 |
| Molecular Formula: | C29 H35 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1ccc(cc1)OC)SCc1cccc(c1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3566 |
| logD: | 5.3549 |
| logSw: | -5.3691 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.041 |
| InChI Key: | WCWPGYLTAXFFSF-UHFFFAOYSA-N |