2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | G731-0055 |
| Compound Name: | 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 288.37 |
| Molecular Formula: | C14 H16 N4 O S |
| Smiles: | C1CCN(C1)C(CSc1nnc(c2ccccc2)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7996 |
| logD: | 0.6079 |
| logSw: | -2.3134 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.232 |
| InChI Key: | LBTKAQHTJIDQHS-UHFFFAOYSA-N |