AC1NE5HX
methyl 4-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]benzoate
Also Known As: Methyl 4-(5-((2-((2-chlorophenyl)amino)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)benzoate|METHYL 4-(5-{[2-(2-CHLOROANILINO)-2-OXOETHYL]SULFANYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)BENZOATE|Methyl 4-[5-[(2-chlorophenyl)carbamoylmethylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]benzoate|methyl 4-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]benzoate|644-801-9|Methyl 4-(5-((2-(2-chloroanilino)-2-oxoethyl)sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-YL)benzoate
| Molecular Formula | C24H19ClN4O3S |
|---|---|
| Molecular Weight | 478.08664 g/mol |
| LogP | 5.1051 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.08664 |
| Monoisotopic Mass | 478.08664 |
| Heavy Atoms | 33 |
| Complexity | 1276.6312 |
Chemical Identifiers
| CAS Number | 618441-19-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4Cl |
Product Overview
AC1NE5HX (CAS 618441-19-3), with molecular formula C24H19ClN4O3S and molecular weight 478.08664 g/mol. IUPAC: methyl 4-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]benzoate.
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