AC1NEBET
2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(furan-2-ylmethyl)butanamide
Also Known As: 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[(furan-2-yl)methyl]butanamide|2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(furan-2-ylmethyl)butanamide|2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}thio)-N-(2-furylmethyl)butanamide
| Molecular Formula | C25H27N7O2S |
|---|---|
| Molecular Weight | 489.1947 g/mol |
| LogP | 4.11364 |
| Topological Polar Surface Area | 103.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 489.1947 |
| Monoisotopic Mass | 489.1947 |
| Heavy Atoms | 35 |
| Complexity | 1472.3217 |
Chemical Identifiers
| CAS Number | 896697-75-9 |
|---|---|
| SMILES | CCC(C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C4=NC(=NN42)CCN5C(=CC(=N5)C)C |
Product Overview
AC1NEBET (CAS 896697-75-9), with molecular formula C25H27N7O2S and molecular weight 489.1947 g/mol. IUPAC: 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(furan-2-ylmethyl)butanamide.
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