Basic information
- CAS
875195-31-6- Standard SMILES
O=C(C=Cc1ccccc1Cl)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
HQZGQPWMWLCKDE-UHFFFAOYSA-N- Molecular formula
- C22H17ClN4OS
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 420.08116
Names & identifiers
- Preferred name
- 2-Propenamide, 3-(2-chlorophenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-
- IUPAC
- 3-(2-chlorophenyl)-N-[(4-phenyldiazenylphenyl)carbamothioyl]prop-2-enamide
Names & synonyms
DTXSID6010386522-Propenamide, 3-(2-chlorophenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-875195-31-6
Database identifiers
- CAS
875195-31-6- PubChem CID
- 4939751
- DTXSID
DTXSID601038652
Properties
Computed structural properties
- XLogP
- 6.3
- 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
- 598
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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