AC1N2OVJ
N-[[4-(4-bromophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
Also Known As: Oprea1_553670|F0721-0176|N-{[4-(4-bromophenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methoxybenzamide|N-((4-(4-bromophenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-methoxybenzamide|N-[[4-(4-bromophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide
| Molecular Formula | C22H19BrN6O3S2 |
|---|---|
| Molecular Weight | 558.01434 g/mol |
| LogP | 4.1557 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 558.01434 |
| Monoisotopic Mass | 558.01434 |
| Heavy Atoms | 34 |
| Complexity | 1278.3041 |
Chemical Identifiers
| CAS Number | 393840-93-2 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=NC=CS4 |
Product Overview
AC1N2OVJ (CAS 393840-93-2), with molecular formula C22H19BrN6O3S2 and molecular weight 558.01434 g/mol. IUPAC: N-[[4-(4-bromophenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxybenzamide.
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