AC1NNJHN
N-[[4-(4-bromophenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
Also Known As: F0514-4495|N-((4-(4-bromophenyl)-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)furan-2-carboxamide|N-{[4-(4-bromophenyl)-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}furan-2-carboxamide|N-[[4-(4-bromophenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
| Molecular Formula | C30H25BrN6O4S2 |
|---|---|
| Molecular Weight | 676.0562 g/mol |
| LogP | 6.0929 |
| Topological Polar Surface Area | 114.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 676.0562 |
| Monoisotopic Mass | 676.0562 |
| Heavy Atoms | 43 |
| Complexity | 1736.2727 |
Chemical Identifiers
| CAS Number | 393585-89-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)CNC(=O)C5=CC=CO5)C6=CC=CS6 |
Product Overview
AC1NNJHN (CAS 393585-89-2), with molecular formula C30H25BrN6O4S2 and molecular weight 676.0562 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-[2-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide.