AC1NS6L9
4-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: BAS 13776400|A4041/0172302|4-(2-((4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid|4-[({[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid|4-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid|4-[(2-{[4-METHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]BENZOIC ACID
| Molecular Formula | C16H14N6O3S |
|---|---|
| Molecular Weight | 370.0848 g/mol |
| LogP | 1.7011 |
| Topological Polar Surface Area | 122.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.0848 |
| Monoisotopic Mass | 370.0848 |
| Heavy Atoms | 26 |
| Complexity | 926.91797 |
Chemical Identifiers
| CAS Number | 887672-64-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)O)C3=NC=CN=C3 |
Product Overview
AC1NS6L9 (CAS 887672-64-2), with molecular formula C16H14N6O3S and molecular weight 370.0848 g/mol. IUPAC: 4-[[2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid.
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