Basic information
- CAS
139356-85-7- Standard SMILES
COc1ccc(/C=C2/C(=O)N(c3nc(-c4ccccc4)cs3)C(=S)N(c3ccccc3C)C2=O)cc1OC- InChIKey
SMFSVPBGMBVNAP-RCCKNPSSSA-N- Molecular formula
- C29H23N3O4S2
- Average molar mass
- 541.6 g/mol
- Monoisotopic mass
- 541.11299857
Names & identifiers
- Preferred name
- 4,6(1H,5H)-Pyrimidinedione, dihydro-5-((3,4-dimethoxyphenyl)methylene)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-
- IUPAC
- (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-(2-methylphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
4,6(1H,5H)-Pyrimidinedione, dihydro-5-((3,4-dimethoxyphenyl)methylene)-1-(2-methylphenyl)-3-(4-phenyl-2-thiazolyl)-2-thioxo-139356-85-7RefChem:1069452BRN 5367613
Database identifiers
- CAS
139356-85-7- PubChem CID
- 6448522
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 923
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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