N,N-diethyl-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-diethyl-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N,N-diethyl-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G731-0642 |
| Compound Name: | N,N-diethyl-2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C15 H20 N4 O2 S |
| Smiles: | CCN(CC)C(CSc1nnc(c2ccc(cc2)OC)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9865 |
| logD: | 0.7948 |
| logSw: | -2.3829 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.694 |
| InChI Key: | MTIXJVVAYBCWAO-UHFFFAOYSA-N |