RefChem:449369
2-[[5-[(3,4-dichloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: 2-[(5-{[(3,4-dichlorophenyl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide|2-({5-[(3,4-DICHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE|2-((5-(((3,4-Dichlorophenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide|2-((5-((3,4-DICHLOROANILINO)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE|2-[[5-[(3,4-dichloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide|644-647-2
| Molecular Formula | C24H21Cl2N5OS |
|---|---|
| Molecular Weight | 497.08438 g/mol |
| LogP | 6.22542 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.08438 |
| Monoisotopic Mass | 497.08438 |
| Heavy Atoms | 33 |
| Complexity | 1245.7115 |
Chemical Identifiers
| CAS Number | 539809-60-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC(=C(C=C4)Cl)Cl |
Product Overview
RefChem:449369 (CAS 539809-60-4), with molecular formula C24H21Cl2N5OS and molecular weight 497.08438 g/mol. IUPAC: 2-[[5-[(3,4-dichloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide.