AC1OAESV
5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-({[2-(cyclohex-1-en-1-yl)ethyl]amino}methylidene)-1-(4-fluorobenzyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione|(5E)-5-[[2-(cyclohexen-1-yl)ethylamino]methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione|(E)-5-(((2-(cyclohex-1-en-1-yl)ethyl)amino)methylene)-1-(4-fluorobenzyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|5-[[2-(cyclohexen-1-yl)ethylamino]methylidene]-1-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C20H22FN3O2S |
|---|---|
| Molecular Weight | 387.14166 g/mol |
| LogP | 4.10829 |
| Topological Polar Surface Area | 70.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.14166 |
| Monoisotopic Mass | 387.14166 |
| Heavy Atoms | 27 |
| Complexity | 974.20184 |
Chemical Identifiers
| CAS Number | 714232-96-9 |
|---|---|
| SMILES | C1CCC(=CC1)CCN=CC2=C(N(C(=S)NC2=O)CC3=CC=C(C=C3)F)O |
Product Overview
AC1OAESV (CAS 714232-96-9), with molecular formula C20H22FN3O2S and molecular weight 387.14166 g/mol. IUPAC: 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-1-[(4-fluorophenyl)methyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one.