AC1OAL14
[4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] acetate
Also Known As: 4-(((3-CYCLOHEXYL-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)-2-MEO-PH ACETATE|(E)-4-(((3-cyclohexyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino)methyl)-2-methoxyphenyl acetate|[4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] acetate|4-{(E)-[(3-cyclohexyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}-2-methoxyphenyl acetate
| Molecular Formula | C18H22N4O3S |
|---|---|
| Molecular Weight | 374.14127 g/mol |
| LogP | 3.80449 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.14127 |
| Monoisotopic Mass | 374.14127 |
| Heavy Atoms | 26 |
| Complexity | 865.5614 |
Chemical Identifiers
| CAS Number | 613247-18-0 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=N/N2C(=NNC2=S)C3CCCCC3)OC |
Product Overview
AC1OAL14 (CAS 613247-18-0), with molecular formula C18H22N4O3S and molecular weight 374.14127 g/mol. IUPAC: [4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] acetate.
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