(5E)-1-(2-Chlorophenyl)-3-(4-chlorophenyl)-5-[2-(2-chlorophenyl)hydrazinylidene]-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
Basic information
- CAS
76153-15-6- Standard SMILES
O=c1c(N=Nc2ccccc2Cl)c(O)n(-c2ccccc2Cl)c(=S)n1-c1ccc(Cl)cc1- InChIKey
BQAAVZYHIZFNJT-UHFFFAOYSA-N- Molecular formula
- C22H13Cl3N4O2S
- Average molar mass
- 503.8 g/mol
- Monoisotopic mass
- 501.98248
Names & identifiers
- Preferred name
- (5E)-1-(2-Chlorophenyl)-3-(4-chlorophenyl)-5-[2-(2-chlorophenyl)hydrazinylidene]-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
- IUPAC
- 1-(2-chlorophenyl)-3-(4-chlorophenyl)-5-[(2-chlorophenyl)diazenyl]-6-hydroxy-2-sulfanylidenepyrimidin-4-one
Names & synonyms
76153-15-6NSC295737DTXSID90421927NSC-295737(5E)-1-(2-Chlorophenyl)-3-(4-chlorophenyl)-5-[2-(2-chlorophenyl)hydrazinylidene]-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione(5E)-1-(2-Chlorophenyl)-3-(4-chlorophenyl)-5-[2-(2-chlorophenyl)hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Database identifiers
- CAS
76153-15-6- PubChem CID
- 326053
- DTXSID
DTXSID90421927
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 787
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Compound notes
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