2-Propenamide, 3-(2-methoxyphenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-
Basic information
- CAS
875195-39-4- Standard SMILES
COc1ccccc1C=CC(=O)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
NPESTFOXCZXAEV-UHFFFAOYSA-N- Molecular formula
- C23H20N4O2S
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.13069707
Names & identifiers
- Preferred name
- 2-Propenamide, 3-(2-methoxyphenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-
- IUPAC
- 3-(2-methoxyphenyl)-N-[(4-phenyldiazenylphenyl)carbamothioyl]prop-2-enamide
Names & synonyms
DTXSID6010396002-Propenamide, 3-(2-methoxyphenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-875195-39-4
Database identifiers
- CAS
875195-39-4- PubChem CID
- 4939752
- DTXSID
DTXSID601039600
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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