N-(3-cyanophenyl)-2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
N-(3-cyanophenyl)-2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | M459-3732 |
| Compound Name: | N-(3-cyanophenyl)-2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C25 H26 N6 O S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)c1ccnc(n1)SCC(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4734 |
| logD: | 5.4733 |
| logSw: | -5.3792 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.773 |
| InChI Key: | RXAYKSCKRHHJPU-UHFFFAOYSA-N |