4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,3-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-
Basic information
- CAS
121608-29-5- Standard SMILES
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N(c2cccc(Cl)c2Cl)C(=S)N1c1ccc(N2CCOCC2)cc1- InChIKey
DQAHTNSVLSVSKG-PGMHBOJBSA-N- Molecular formula
- C27H20Cl2N4O5S
- Average molar mass
- 583.4 g/mol
- Monoisotopic mass
- 582.0531463
Names & identifiers
- Preferred name
- 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,3-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-
- IUPAC
- (5Z)-1-(2,3-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,3-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-((3-nitrophenyl)methylene)-2-thioxo-121608-29-5RefChem:10694271-(2,3-Dichlorophenyl)-3-(4-(morpholino)phenyl)-5-(m-nitrobenzylidene)thiobarbituric acid
Database identifiers
- CAS
121608-29-5- PubChem CID
- 6449412
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 995
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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