4-(1,3-benzothiazol-2-yl)-1-{3-[(4-benzyl-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-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one
4-(1,3-benzothiazol-2-yl)-1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | T501-1342 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C26 H29 N5 O S |
| Smiles: | C(CC(N1CCCC(Cc2nncn2Cc2ccccc2)C1)=O)Cc1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1031 |
| logD: | 4.1031 |
| logSw: | -4.3568 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.569 |
| InChI Key: | VQCKERKHMHIKDA-OAQYLSRUSA-N |