2-Propenamide, 3-(3,4-dimethoxyphenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-
Basic information
- CAS
875194-88-0- Standard SMILES
COc1ccc(C=CC(=O)NC(=S)Nc2ccc(N=Nc3ccccc3)cc2)cc1OC- InChIKey
IGMPGXWQCQUROT-UHFFFAOYSA-N- Molecular formula
- C24H22N4O3S
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.14126175
Names & identifiers
- Preferred name
- 2-Propenamide, 3-(3,4-dimethoxyphenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-
- IUPAC
- 3-(3,4-dimethoxyphenyl)-N-[(4-phenyldiazenylphenyl)carbamothioyl]prop-2-enamide
Names & synonyms
DTXSID9010387442-Propenamide, 3-(3,4-dimethoxyphenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-875194-88-0
Database identifiers
- CAS
875194-88-0- PubChem CID
- 4939745
- DTXSID
DTXSID901038744
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 658
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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