4-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-2-methyl-6-(piperidin-1-yl)pyrimidine
Chemical Structure Depiction of
4-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-2-methyl-6-(piperidin-1-yl)pyrimidine
4-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-2-methyl-6-(piperidin-1-yl)pyrimidine
Compound characteristics
| Compound ID: | D430-1118 |
| Compound Name: | 4-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperazin-1-yl]-2-methyl-6-(piperidin-1-yl)pyrimidine |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C22 H29 N5 O4 S |
| Smiles: | Cc1nc(cc(n1)N1CCN(CC1)S(c1ccc2c(c1)OCCO2)(=O)=O)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1214 |
| logD: | 3.0584 |
| logSw: | -3.2208 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.596 |
| InChI Key: | LVPVGRGDSCRWTE-UHFFFAOYSA-N |