3-(1,3-benzothiazol-2-yl)-1-{4-[(5-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
3-(1,3-benzothiazol-2-yl)-1-{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S564-0272 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-{4-[(5-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C20 H25 N5 O S |
| Smiles: | CCc1nnc(CC2CCN(CC2)C(CCc2nc3ccccc3s2)=O)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.1158 |
| logD: | 3.1089 |
| logSw: | -3.2477 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.341 |
| InChI Key: | XWFLJWWLFMDRRX-UHFFFAOYSA-N |