1-(4-benzoylpiperazin-1-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-benzoylpiperazin-1-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-benzoylpiperazin-1-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 8011-1352 |
| Compound Name: | 1-(4-benzoylpiperazin-1-yl)-2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C27 H25 N5 O2 S |
| Smiles: | C1CN(CCN1C(CSc1nnc(c2ccccc2)n1c1ccccc1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.51 |
| logD: | 3.51 |
| logSw: | -3.5576 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.561 |
| InChI Key: | CHGJPBDCOROFJN-UHFFFAOYSA-N |