4-(1,3-benzothiazol-2-yl)-1-{4-[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl}butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-{4-[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl}butan-1-one
4-(1,3-benzothiazol-2-yl)-1-{4-[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | SA02-1461 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-{4-[5-(ethoxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl}butan-1-one |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C24 H30 N4 O2 S |
| Smiles: | CCOCc1cnc(C)nc1C1CCN(CC1)C(CCCc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8661 |
| logD: | 3.8661 |
| logSw: | -3.7149 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.839 |
| InChI Key: | XWAMRLLTHKYVHH-UHFFFAOYSA-N |