AC1LODD0
N-(4-ethylphenyl)-2-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetamide
Also Known As: A2977/0125479|N-(4-ethylphenyl)-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide|N-(4-ethylphenyl)-2-(5-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-1H-1,2,4-triazol-1-yl)acetamide|N-(4-ethylphenyl)-2-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetamide
| Molecular Formula | C20H22N8O3S |
|---|---|
| Molecular Weight | 454.15356 g/mol |
| LogP | 0.9145 |
| Topological Polar Surface Area | 121.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.15356 |
| Monoisotopic Mass | 454.15356 |
| Heavy Atoms | 32 |
| Complexity | 1428.3087 |
Chemical Identifiers
| CAS Number | 671763-69-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC(=O)CN2C(=NC=N2)SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C |
Product Overview
AC1LODD0 (CAS 671763-69-2), with molecular formula C20H22N8O3S and molecular weight 454.15356 g/mol. IUPAC: N-(4-ethylphenyl)-2-[5-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanyl-1,2,4-triazol-1-yl]acetamide.
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