N-(2-methoxy-5-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-methoxy-5-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-methoxy-5-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G731-0072 |
| Compound Name: | N-(2-methoxy-5-methylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | Cc1ccc(c(c1)NC(CSc1nnc(c2ccccc2)[nH]1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5926 |
| logD: | 1.4009 |
| logSw: | -3.1163 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.556 |
| InChI Key: | NESUPQYOUKBCKK-UHFFFAOYSA-N |