4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methanesulfonyl]piperidine
Chemical Structure Depiction of
4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methanesulfonyl]piperidine
4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methanesulfonyl]piperidine
Compound characteristics
| Compound ID: | S517-1019 |
| Compound Name: | 4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]-1-[(2-fluorophenyl)methanesulfonyl]piperidine |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C22 H25 F N4 O2 S |
| Smiles: | C1CN(CCC1Cc1nncn1Cc1ccccc1)S(Cc1ccccc1F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3388 |
| logD: | 3.3388 |
| logSw: | -3.4902 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.904 |
| InChI Key: | AHTDOXKKNOCIHH-UHFFFAOYSA-N |