AC1NUXSC
methyl 3-[[1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]benzoate
Also Known As: (E)-methyl 3-(((1-(2-(cyclohex-1-en-1-yl)ethyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)benzoate|methyl 3-[[(E)-[1-[2-(cyclohexen-1-yl)ethyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]amino]benzoate|methyl 3-[[1-[2-(cyclohexen-1-yl)ethyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate|methyl 3-{[(E)-{1-[2-(cyclohex-1-en-1-yl)ethyl]-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene}methyl]amino}benzoate
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14093 g/mol |
| LogP | 4.03919 |
| Topological Polar Surface Area | 96.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.14093 |
| Monoisotopic Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 1082.0643 |
Chemical Identifiers
| CAS Number | 714239-64-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)N=CC2=C(N(C(=S)NC2=O)CCC3=CCCCC3)O |
Product Overview
AC1NUXSC (CAS 714239-64-2), with molecular formula C21H23N3O4S and molecular weight 413.14093 g/mol. IUPAC: methyl 3-[[1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]benzoate.