2-({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
2-({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y205-6821 |
| Compound Name: | 2-({5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 447.9 |
| Molecular Formula: | C19 H18 Cl N5 O4 S |
| Smiles: | Cc1cc(ccc1[Cl])OCc1nnc(n1C)SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9802 |
| logD: | 3.9795 |
| logSw: | -4.2495 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.057 |
| InChI Key: | RROZVQJUWFEFOP-UHFFFAOYSA-N |