AC1LZDG2
(5E)-1-(4-bromo-2-methylphenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: ChemDiv1_006736|HMS606C04|(5E)-1-(4-bromo-2-methylphenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione|(5E)-1-(4-BROMO-2-METHYLPHENYL)-5-{[5-(PYRROLIDIN-1-YL)FURAN-2-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE|1-(4-bromo-2-methylphenyl)-5-{[5-(1-pyrrolidinyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C20H18BrN3O3S |
|---|---|
| Molecular Weight | 459.02524 g/mol |
| LogP | 3.78202 |
| Topological Polar Surface Area | 65.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.02524 |
| Monoisotopic Mass | 459.02524 |
| Heavy Atoms | 28 |
| Complexity | 1007.8749 |
Chemical Identifiers
| CAS Number | 6359-12-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=C(O3)N4CCCC4)/C(=O)NC2=S |
Product Overview
AC1LZDG2 (CAS 6359-12-2), with molecular formula C20H18BrN3O3S and molecular weight 459.02524 g/mol. IUPAC: (5E)-1-(4-bromo-2-methylphenyl)-5-[(5-pyrrolidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
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