AC1N54PR
N-[[4-(3-chlorophenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
Also Known As: SR-01000542818-1|F0514-4051|N-((4-(3-chlorophenyl)-5-((2-(5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamide|N-[[4-(3-chlorophenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide|N-{[4-(3-chlorophenyl)-5-({2-[5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
| Molecular Formula | C33H29ClN6O4S2 |
|---|---|
| Molecular Weight | 672.138 g/mol |
| LogP | 6.156 |
| Topological Polar Surface Area | 110.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 672.138 |
| Monoisotopic Mass | 672.138 |
| Heavy Atoms | 46 |
| Complexity | 1830.691 |
Chemical Identifiers
| CAS Number | 393585-07-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)CNC(=O)COC5=CC=CC=C5)C6=CC=CS6 |
Product Overview
AC1N54PR (CAS 393585-07-4), with molecular formula C33H29ClN6O4S2 and molecular weight 672.138 g/mol. IUPAC: N-[[4-(3-chlorophenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.