(5E)-1-(2-Chlorophenyl)-3-(4-ethoxyphenyl)-5-[2-(4-methoxyphenyl)hydrazinylidene]-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
Basic information
- CAS
76153-54-3- Standard SMILES
CCOc1ccc(-n2c(=O)c(N=Nc3ccc(OC)cc3)c(O)n(-c3ccccc3Cl)c2=S)cc1- InChIKey
XKRHXHDZXBJNPX-UHFFFAOYSA-N- Molecular formula
- C25H21ClN4O4S
- Average molar mass
- 509 g/mol
- Monoisotopic mass
- 508.097204
Names & identifiers
- Preferred name
- (5E)-1-(2-Chlorophenyl)-3-(4-ethoxyphenyl)-5-[2-(4-methoxyphenyl)hydrazinylidene]-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
- IUPAC
- 1-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-hydroxy-5-[(4-methoxyphenyl)diazenyl]-2-sulfanylidenepyrimidin-4-one
Names & synonyms
76153-54-3NSC295747DTXSID30507673NSC-295747(5E)-1-(2-Chlorophenyl)-3-(4-ethoxyphenyl)-5-[2-(4-methoxyphenyl)hydrazinylidene]-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione(5E)-1-(2-Chlorophenyl)-3-(4-ethoxyphenyl)-5-[2-(4-methoxyphenyl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Database identifiers
- CAS
76153-54-3- PubChem CID
- 326058
- DTXSID
DTXSID30507673
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 824
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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