4-(1,3-benzothiazol-2-yl)-1-{4-[5-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl}butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-{4-[5-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl}butan-1-one
4-(1,3-benzothiazol-2-yl)-1-{4-[5-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | SA02-1143 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-{4-[5-(methoxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl}butan-1-one |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C23 H28 N4 O2 S |
| Smiles: | Cc1ncc(COC)c(C2CCN(CC2)C(CCCc2nc3ccccc3s2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4603 |
| logD: | 3.4603 |
| logSw: | -3.4044 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.203 |
| InChI Key: | DWBNUEOUOFLXEI-UHFFFAOYSA-N |