AC1M0B1W
4-[[2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
Also Known As: 4-[({[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide|4-(2-((4-allyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide|4-[[2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CAS: 680205-76-9
| Molecular Formula | C18H17N7O2S |
|---|---|
| Molecular Weight | 395.11646 g/mol |
| LogP | 1.7508 |
| Topological Polar Surface Area | 128.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.11646 |
| Monoisotopic Mass | 395.11646 |
| Heavy Atoms | 28 |
| Complexity | 986.9285 |
Chemical Identifiers
| CAS Number | 680205-76-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=NC=CN=C3 |
Product Overview
AC1M0B1W (CAS 680205-76-9), with molecular formula C18H17N7O2S and molecular weight 395.11646 g/mol. IUPAC: 4-[[2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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