AC1Q2IZQ
N-(3,5-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01816150|AG-690/40696279|N-(3,5-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|2-((4-allyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide|2-{[4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide|N-(3,5-dimethylphenyl)-2-(4-prop-2-enyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)) acetamide
| Molecular Formula | C20H21N5OS |
|---|---|
| Molecular Weight | 379.14667 g/mol |
| LogP | 3.87374 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.14667 |
| Monoisotopic Mass | 379.14667 |
| Heavy Atoms | 27 |
| Complexity | 932.01086 |
Chemical Identifiers
| CAS Number | 332909-53-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C |
Product Overview
AC1Q2IZQ (CAS 332909-53-2), with molecular formula C20H21N5OS and molecular weight 379.14667 g/mol. IUPAC: N-(3,5-dimethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
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