3-(1,3-benzothiazol-2-yl)-1-{4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-{4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl}propan-1-one
3-(1,3-benzothiazol-2-yl)-1-{4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | SA02-0077 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-{4-[5-(hydroxymethyl)-2-methylpyrimidin-4-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | Cc1ncc(CO)c(C2CCN(CC2)C(CCc2nc3ccccc3s2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.457 |
| logD: | 2.4569 |
| logSw: | -2.2293 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.895 |
| InChI Key: | SBYFESMFSFJAGV-UHFFFAOYSA-N |