3-(1,3-benzothiazol-2-yl)-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)propan-1-one
3-(1,3-benzothiazol-2-yl)-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S564-0788 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-(4-{[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)propan-1-one |
| Molecular Weight: | 432.55 |
| Molecular Formula: | C23 H24 N6 O S |
| Smiles: | C1CN(CCC1Cc1nnc(c2ccncc2)[nH]1)C(CCc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.126 |
| logD: | 3.1027 |
| logSw: | -3.1213 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.507 |
| InChI Key: | UIYVFHCOQGUVGH-UHFFFAOYSA-N |