2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 5847-1388 |
| Compound Name: | 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 264.3 |
| Molecular Formula: | C11 H12 N4 O2 S |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(N)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4275 |
| logD: | 0.2944 |
| logSw: | -2.0851 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.002 |
| InChI Key: | FOWHCHXNSAEJPW-UHFFFAOYSA-N |