AC1NQF25
N-[[5-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide
Also Known As: N-{[5-({2-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide|F0514-0620|N-((5-((2-(3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-nitrobenzamide|N-[[5-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide
| Molecular Formula | C35H30FN7O6S |
|---|---|
| Molecular Weight | 695.1962 g/mol |
| LogP | 5.7318 |
| Topological Polar Surface Area | 154.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 695.1962 |
| Monoisotopic Mass | 695.1962 |
| Heavy Atoms | 50 |
| Complexity | 2036.4152 |
Chemical Identifiers
| CAS Number | 393582-96-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)OC |
Product Overview
AC1NQF25 (CAS 393582-96-2), with molecular formula C35H30FN7O6S and molecular weight 695.1962 g/mol. IUPAC: N-[[5-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide.