AC1NE7BF
2-[[5-[(2,6-dimethylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: Oprea1_263013|Oprea1_471426|2-({4-ALLYL-5-[(2,6-DIMETHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL}SULFANYL)-N-(2-METHYLPHENYL)ACETAMIDE|2-((4-Allyl-5-(((2,6-dimethylphenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(o-tolyl)acetamide|2-((4-ALLYL-5-((2,6-DIMETHYLANILINO)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2-METHYLPHENYL)ACETAMIDE|2-(5-{[(2,6-dimethylphenyl)amino]methyl}-4-prop-2-enyl(1,2,4-triazol-3-ylthio) )-N-(2-methylphenyl)acetamide|2-[[5-[(2,6-dimethylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide|644-842-2
| Molecular Formula | C23H27N5OS |
|---|---|
| Molecular Weight | 421.19363 g/mol |
| LogP | 4.73226 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 421.19363 |
| Monoisotopic Mass | 421.19363 |
| Heavy Atoms | 30 |
| Complexity | 1023.57275 |
Chemical Identifiers
| CAS Number | 538337-52-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NCC2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C |
Product Overview
AC1NE7BF (CAS 538337-52-9), with molecular formula C23H27N5OS and molecular weight 421.19363 g/mol. IUPAC: 2-[[5-[(2,6-dimethylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
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