N-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | M459-5164 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)c1ccnc(n1)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2068 |
| logD: | 5.2068 |
| logSw: | -5.0285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.155 |
| InChI Key: | LTLZSZUIXFYDQJ-UHFFFAOYSA-N |