2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D419-0020 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C22 H25 N5 O2 S |
| Smiles: | C1CN(CCN1CCO)C(CSc1nnc(c2ccccc2)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1836 |
| logD: | 2.1679 |
| logSw: | -2.2073 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.551 |
| InChI Key: | HEJACNYKDHGOFX-UHFFFAOYSA-N |