AC1LS3UC
(E)-2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
Also Known As: 11T-0353|(E)-2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenenitrile|(2E)-2-(2H-1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile|(E)-2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile|2-benzo[1,3]dioxol-5-yl-3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile
| Molecular Formula | C27H21N3O4 |
|---|---|
| Molecular Weight | 451.1532 g/mol |
| LogP | 5.34938 |
| Topological Polar Surface Area | 78.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.1532 |
| Monoisotopic Mass | 451.1532 |
| Heavy Atoms | 34 |
| Complexity | 1417.8135 |
Chemical Identifiers
| CAS Number | 955975-73-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)OC |
Product Overview
AC1LS3UC (CAS 955975-73-2), with molecular formula C27H21N3O4 and molecular weight 451.1532 g/mol. IUPAC: (E)-2-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile.
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