3-[3-oxo-3-(piperidin-1-yl)propyl]-6-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-[3-oxo-3-(piperidin-1-yl)propyl]-6-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
3-[3-oxo-3-(piperidin-1-yl)propyl]-6-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F952-0561 |
| Compound Name: | 3-[3-oxo-3-(piperidin-1-yl)propyl]-6-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C23 H28 N6 O4 S2 |
| Smiles: | C1CCN(CC1)C(CCN1C(=O)Sc2cc(ccc12)S(N1CCN(CC1)c1ncccn1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8702 |
| logD: | 2.8702 |
| logSw: | -3.4955 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.516 |
| InChI Key: | BQEPVOSFXOCLFV-UHFFFAOYSA-N |