N-(2H-1,3-benzodioxol-5-yl)-2-({4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | M459-0959 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | COc1ccccc1N1CCN(CC1)c1ccnc(n1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2883 |
| logD: | 4.2882 |
| logSw: | -4.2245 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.463 |
| InChI Key: | LTGKVAFZEUIOOJ-UHFFFAOYSA-N |