N-methyl-N-phenyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-methyl-N-phenyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-methyl-N-phenyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G731-0093 |
| Compound Name: | N-methyl-N-phenyl-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 324.4 |
| Molecular Formula: | C17 H16 N4 O S |
| Smiles: | CN(C(CSc1nnc(c2ccccc2)[nH]1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1973 |
| logD: | 1.0056 |
| logSw: | -2.5049 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.587 |
| InChI Key: | MTENXBBASQFTIR-UHFFFAOYSA-N |