4-(1,3-benzothiazol-2-yl)-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one
4-(1,3-benzothiazol-2-yl)-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | T501-1424 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one |
| Molecular Weight: | 445.59 |
| Molecular Formula: | C25 H27 N5 O S |
| Smiles: | C(CC(N1CCCC(Cc2nncn2c2ccccc2)C1)=O)Cc1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0781 |
| logD: | 4.0781 |
| logSw: | -4.3375 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.028 |
| InChI Key: | FYBINOCDDWULPY-LJQANCHMSA-N |