3-(1,3-benzothiazol-2-yl)-1-{4-[(5-phenyl-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-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
3-(1,3-benzothiazol-2-yl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S564-0448 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-{4-[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 431.56 |
| Molecular Formula: | C24 H25 N5 O S |
| Smiles: | C1CN(CCC1Cc1nnc(c2ccccc2)[nH]1)C(CCc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.27 |
| logD: | 4.2342 |
| logSw: | -4.2953 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.079 |
| InChI Key: | OGRKMQQCTIXXST-UHFFFAOYSA-N |