AC1NXW0K
(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-propan-2-ylanilino)prop-2-enenitrile
Also Known As: (E)-2-(4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-yl)-3-((2-isopropylphenyl)amino)acrylonitrile|F0760-1758|(2E)-2-[4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{[2-(propan-2-yl)phenyl]amino}prop-2-enenitrile|(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-propan-2-ylanilino)prop-2-enenitrile|(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-{[2-(propan-2-yl)phenyl]amino}prop-2-enenitrile
| Molecular Formula | C22H19N3O2S |
|---|---|
| Molecular Weight | 389.1198 g/mol |
| LogP | 5.63878 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.1198 |
| Monoisotopic Mass | 389.1198 |
| Heavy Atoms | 28 |
| Complexity | 1079.3811 |
Chemical Identifiers
| CAS Number | 374090-75-2 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=C3)OCO4 |
Product Overview
AC1NXW0K (CAS 374090-75-2), with molecular formula C22H19N3O2S and molecular weight 389.1198 g/mol. IUPAC: (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-propan-2-ylanilino)prop-2-enenitrile.
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