2-Propenamide, 3-(4-methylphenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-
Basic information
- CAS
875195-03-2- Standard SMILES
Cc1ccc(C=CC(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)cc1- InChIKey
BREIPLSBODWXIB-UHFFFAOYSA-N- Molecular formula
- C23H20N4OS
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.13578245
Names & identifiers
- Preferred name
- 2-Propenamide, 3-(4-methylphenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-
- IUPAC
- 3-(4-methylphenyl)-N-[(4-phenyldiazenylphenyl)carbamothioyl]prop-2-enamide
Names & synonyms
DTXSID0010378062-Propenamide, 3-(4-methylphenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-875195-03-2
Database identifiers
- CAS
875195-03-2- PubChem CID
- 4939747
- DTXSID
DTXSID001037806
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 584
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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