AC1MRRAE
N-[[4-(2,3-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
Also Known As: Oprea1_154449|F0772-0632|N-((4-(2,3-dimethylphenyl)-5-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamide|N-{[4-(2,3-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide|N-[[4-(2,3-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide
| Molecular Formula | C24H24N6O3S2 |
|---|---|
| Molecular Weight | 508.13513 g/mol |
| LogP | 3.76664 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 508.13513 |
| Monoisotopic Mass | 508.13513 |
| Heavy Atoms | 35 |
| Complexity | 1292.104 |
Chemical Identifiers
| CAS Number | 394232-54-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)NC3=NC=CS3)CNC(=O)COC4=CC=CC=C4)C |
Product Overview
AC1MRRAE (CAS 394232-54-3), with molecular formula C24H24N6O3S2 and molecular weight 508.13513 g/mol. IUPAC: N-[[4-(2,3-dimethylphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-phenoxyacetamide.
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