AC1N5ZLG
N-[[4-(4-bromophenyl)-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide
Also Known As: F0721-0464|N-((4-(4-bromophenyl)-5-((2-(indolin-1-yl)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-methyl-3-nitrobenzamide|N-{[4-(4-bromophenyl)-5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide|N-[[4-(4-bromophenyl)-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide
| Molecular Formula | C27H23BrN6O4S |
|---|---|
| Molecular Weight | 606.0685 g/mol |
| LogP | 4.85782 |
| Topological Polar Surface Area | 123.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 606.0685 |
| Monoisotopic Mass | 606.0685 |
| Heavy Atoms | 39 |
| Complexity | 1573.003 |
Chemical Identifiers
| CAS Number | 393872-76-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)N4CCC5=CC=CC=C54 |
Product Overview
AC1N5ZLG (CAS 393872-76-9), with molecular formula C27H23BrN6O4S and molecular weight 606.0685 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide.