AC1N41V8
N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
Also Known As: F0514-4080|N-{[5-({2-[5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide|N-((5-((2-(5-(2,3-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamide|N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
| Molecular Formula | C34H31FN6O5S2 |
|---|---|
| Molecular Weight | 686.17816 g/mol |
| LogP | 5.6503 |
| Topological Polar Surface Area | 120.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 686.17816 |
| Monoisotopic Mass | 686.17816 |
| Heavy Atoms | 48 |
| Complexity | 1901.0953 |
Chemical Identifiers
| CAS Number | 393585-13-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CNC(=O)COC5=CC=CC=C5)C6=CC=CS6 |
Product Overview
AC1N41V8 (CAS 393585-13-2), with molecular formula C34H31FN6O5S2 and molecular weight 686.17816 g/mol. IUPAC: N-[[5-[2-[3-(2,3-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.