4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,5-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-(3-phenyl)-2-propenylidene)-2-thioxo-
Basic information
- CAS
121608-32-0- Standard SMILES
O=C1/C(=C/C=C/c2ccccc2)C(=O)N(c2cc(Cl)ccc2Cl)C(=S)N1c1ccc(N2CCOCC2)cc1- InChIKey
WJFCMGNTKSIICD-REGBWQCZSA-N- Molecular formula
- C29H23Cl2N3O3S
- Average molar mass
- 564.5 g/mol
- Monoisotopic mass
- 563.0837182
Names & identifiers
- Preferred name
- 4,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,5-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-(3-phenyl)-2-propenylidene)-2-thioxo-
- IUPAC
- (5Z)-1-(2,5-dichlorophenyl)-3-(4-morpholin-4-ylphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
121608-32-04,6(1H,5H)-Pyrimidinedione, dihydro-1-(2,5-dichlorophenyl)-3-(4-(4-morpholinyl)phenyl)-5-(3-phenyl)-2-propenylidene)-2-thioxo-RefChem:10694341-(2,5-Dichlorophenyl)-3-(4-morpholinophenyl)-5-(3-phenyl-2-propenylidene)thiobarbituric acid
Database identifiers
- CAS
121608-32-0- PubChem CID
- 6449415
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 939
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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