N-(4-{[(4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{[(4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}phenyl)acetamide
N-(4-{[(4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}phenyl)acetamide
Compound characteristics
| Compound ID: | 3743-0013 |
| Compound Name: | N-(4-{[(4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}phenyl)acetamide |
| Molecular Weight: | 276.31 |
| Molecular Formula: | C12 H12 N4 O2 S |
| Smiles: | CC(Nc1ccc(cc1)C(CSc1nnc[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0675 |
| logD: | -0.2978 |
| logSw: | -2.0732 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.901 |
| InChI Key: | OOEHYAGOYJMCHF-UHFFFAOYSA-N |