1-[4-(4-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazin-1-yl)phenyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazin-1-yl)phenyl]ethan-1-one
1-[4-(4-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazin-1-yl)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | M031-0116 |
| Compound Name: | 1-[4-(4-{4-[(1H-1,2,4-triazol-1-yl)methyl]benzoyl}piperazin-1-yl)phenyl]ethan-1-one |
| Molecular Weight: | 389.46 |
| Molecular Formula: | C22 H23 N5 O2 |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)C(c1ccc(Cn2cncn2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2457 |
| logD: | 1.2457 |
| logSw: | -1.7598 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.951 |
| InChI Key: | ZWLPCQRUSMBUQO-UHFFFAOYSA-N |