AC1NQ74W
N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-fluorophenyl)-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-01000542836-1|F0514-4158|N-((4-(4-ethoxyphenyl)-5-((2-(5-(4-fluorophenyl)-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-(4-ethoxyphenyl)-5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide|N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
| Molecular Formula | C34H31FN6O4S2 |
|---|---|
| Molecular Weight | 670.1832 g/mol |
| LogP | 6.0318 |
| Topological Polar Surface Area | 110.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 670.1832 |
| Monoisotopic Mass | 670.1832 |
| Heavy Atoms | 47 |
| Complexity | 1830.9531 |
Chemical Identifiers
| CAS Number | 393585-56-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)COC6=CC=CC=C6 |
Product Overview
AC1NQ74W (CAS 393585-56-3), with molecular formula C34H31FN6O4S2 and molecular weight 670.1832 g/mol. IUPAC: N-[[4-(4-ethoxyphenyl)-5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.
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