3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V027-6392 |
| Compound Name: | 3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 519.71 |
| Molecular Formula: | C29 H37 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1cccc(CSc2nc(C)c(C)c(n2)N2CCN(CC2)c2ccc(cc2)OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8981 |
| logD: | 5.8964 |
| logSw: | -5.5304 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.711 |
| InChI Key: | XYGORWQBJSUYCI-UHFFFAOYSA-N |