4-(1,3-benzothiazol-2-yl)-1-{4-[(4-ethyl-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-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one
4-(1,3-benzothiazol-2-yl)-1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | S517-1440 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}butan-1-one |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C21 H27 N5 O S |
| Smiles: | CCn1cnnc1CC1CCN(CC1)C(CCCc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9198 |
| logD: | 2.9158 |
| logSw: | -3.2156 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.632 |
| InChI Key: | PGUGDISXPDOREW-UHFFFAOYSA-N |