N-[(3-methoxyphenyl)methyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[(3-methoxyphenyl)methyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G731-0117 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | COc1cccc(CNC(CSc2nnc(c3ccccc3)[nH]2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5343 |
| logD: | 1.3426 |
| logSw: | -2.8438 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.489 |
| InChI Key: | ZMTFZSJACLBTKX-UHFFFAOYSA-N |