AC1NRUKH
2-[[4-ethyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: BAS 12238993|A3871/0164482|[(4-ethyl-5-{[5-(4-methylphenyl)-2H-tetrazol-2-yl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid|2-((4-ethyl-5-((5-(p-tolyl)-2H-tetrazol-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid|2-[(4-ethyl-5-{[5-(4-methylphenyl)-2H-1,2,3,4-tetraazol-2-yl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid|2-[[4-ethyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
| Molecular Formula | C15H17N7O2S |
|---|---|
| Molecular Weight | 359.11646 g/mol |
| LogP | 1.48492 |
| Topological Polar Surface Area | 111.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.11646 |
| Monoisotopic Mass | 359.11646 |
| Heavy Atoms | 25 |
| Complexity | 872.39465 |
Chemical Identifiers
| CAS Number | 728031-33-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)O)CN2N=C(N=N2)C3=CC=C(C=C3)C |
Product Overview
AC1NRUKH (CAS 728031-33-2), with molecular formula C15H17N7O2S and molecular weight 359.11646 g/mol. IUPAC: 2-[[4-ethyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
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