1-(2,4-Dimethylphenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Basic information
- CAS
593272-78-7- Standard SMILES
C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1O- InChIKey
FAZKXSNLENPQGK-UHFFFAOYSA-N- Molecular formula
- C23H22N2O4S
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.13002836
Names & identifiers
- Preferred name
- 1-(2,4-Dimethylphenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
- IUPAC
- 1-(2,4-dimethylphenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
- English name
- 5-(3-allyl-4-hydroxy-5-methoxybenzylidene)-1-(2,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
- Molecular formula
- C23H22N2O4S
- Molecular weight
- 422.5
Names & synonyms
(5E)-1-(2,4-DIMETHYLPHENYL)-5-{[4-HYDROXY-3-METHOXY-5-(PROP-2-EN-1-YL)PHENYL]METHYLIDENE}-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE5-(3-allyl-4-hydroxy-5-methoxybenzylidene)-1-(2,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione(5E)-1-(2,4-dimethylphenyl)-5-[4-hydroxy-3-methoxy-5-(prop-2-en-1-yl)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione4,6(1H,5H)-Pyrimidinedione, 1-(2,4-dimethylphenyl)dihydro-5-[[4-hydroxy-3-methoxy-5-(2-propen-1-yl)phenyl]methylene]-2-thioxo-
Database identifiers
- CAS
593272-78-7- PubChem CID
- 6749423
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 737
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 6.62 · 6.62±0.20(Predicted)
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Compound notes
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