2-({5-[(4-ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({5-[(4-ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
2-({5-[(4-ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y205-6721 |
| Compound Name: | 2-({5-[(4-ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C20 H21 N5 O4 S |
| Smiles: | CCc1ccc(cc1)OCc1nnc(n1C)SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6315 |
| logD: | 3.6308 |
| logSw: | -3.7656 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.057 |
| InChI Key: | IBIZZKCUNSSYTL-UHFFFAOYSA-N |