AC1NCIEQ
N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-5-bromothiophene-2-carboxamide
Also Known As: Oprea1_766140|AB00668023-01|F0526-2182|N-(5-(benzo[d][1,3]dioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl)-5-bromothiophene-2-carboxamide|N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-5-bromothiophene-2-carboxamide|N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methylthiophen-2-yl}-5-bromothiophene-2-carboxamide|N-[5-(benzo[1,3]dioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-5-bromo-thiophene-2-carboxamide
| Molecular Formula | C19H13BrN2O3S2 |
|---|---|
| Molecular Weight | 459.9551 g/mol |
| LogP | 5.324 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.9551 |
| Monoisotopic Mass | 459.9551 |
| Heavy Atoms | 27 |
| Complexity | 1081.3031 |
Chemical Identifiers
| CAS Number | 476367-84-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(S2)Br)CC3=CC4=C(C=C3)OCO4 |
Product Overview
AC1NCIEQ (CAS 476367-84-7), with molecular formula C19H13BrN2O3S2 and molecular weight 459.9551 g/mol. IUPAC: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-5-bromothiophene-2-carboxamide.
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