AC1O0R86
(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-nitroanilino)prop-2-enenitrile
Also Known As: SR-01000008990-1|F0760-1538|(2E)-2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-nitrophenyl)amino]prop-2-enenitrile|(E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile|(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-nitroanilino)prop-2-enenitrile|(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(3-nitrophenyl)amino]prop-2-enenitrile
| Molecular Formula | C19H12N4O4S |
|---|---|
| Molecular Weight | 392.05792 g/mol |
| LogP | 4.42358 |
| Topological Polar Surface Area | 110.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.05792 |
| Monoisotopic Mass | 392.05792 |
| Heavy Atoms | 28 |
| Complexity | 1132.9575 |
Chemical Identifiers
| CAS Number | 476676-83-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)/C(=C/NC4=CC(=CC=C4)[N+](=O)[O-])/C#N |
Product Overview
AC1O0R86 (CAS 476676-83-2), with molecular formula C19H12N4O4S and molecular weight 392.05792 g/mol. IUPAC: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-nitroanilino)prop-2-enenitrile.
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