AC1NPB3P
N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]cyclohexanecarboxamide
Also Known As: AB00684378-01|F0526-2190|N-(5-(benzo[d][1,3]dioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl)cyclohexanecarboxamide|N-{5-[(2H-1,3-benzodioxol-5-yl)methyl]-3-cyano-4-methylthiophen-2-yl}cyclohexanecarboxamide|N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]cyclohexanecarboxamide|N-[5-(benzo[1,3]dioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]cyclohexanecarboxamide
| Molecular Formula | C21H22N2O3S |
|---|---|
| Molecular Weight | 382.1351 g/mol |
| LogP | 4.7665 |
| Topological Polar Surface Area | 71.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.1351 |
| Monoisotopic Mass | 382.1351 |
| Heavy Atoms | 27 |
| Complexity | 906.88104 |
Chemical Identifiers
| CAS Number | 476367-92-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2CCCCC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
AC1NPB3P (CAS 476367-92-7), with molecular formula C21H22N2O3S and molecular weight 382.1351 g/mol. IUPAC: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]cyclohexanecarboxamide.
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