N-(2H-1,3-benzodioxol-5-yl)-2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | M459-3676 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)c1ccnc(n1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4455 |
| logD: | 5.4455 |
| logSw: | -5.373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.832 |
| InChI Key: | GLJBMWOGFAUWED-UHFFFAOYSA-N |