(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Basic information
- CAS
6078-82-6- Standard SMILES
COc1ccc(/C=C2\C(=O)N(C)C(=S)N(c3ccc(C)cc3)C2=O)cc1OC- InChIKey
OYEVUJVVLMIQOO-LFIBNONCSA-N- Molecular formula
- C21H20N2O4S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.1143783
Names & identifiers
- Preferred name
- (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
- IUPAC
- (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
6078-82-6(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione5-(3,4-dimethoxybenzylidene)-1-methyl-3-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedioneZINC01215267DTXSID00367443BIM-0044612.P001
Database identifiers
- CAS
6078-82-6- PubChem CID
- 2267477
- DTXSID
DTXSID00367443
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 657
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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