2-Propenamide, 3-(4-fluorophenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-
Basic information
- CAS
875194-81-3- Standard SMILES
O=C(C=Cc1ccc(F)cc1)NC(=S)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
SPBDJEYQVNRCGI-UHFFFAOYSA-N- Molecular formula
- C22H17FN4OS
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.11071051
Names & identifiers
- Preferred name
- 2-Propenamide, 3-(4-fluorophenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-
- IUPAC
- 3-(4-fluorophenyl)-N-[(4-phenyldiazenylphenyl)carbamothioyl]prop-2-enamide
Names & synonyms
DTXSID1010403852-Propenamide, 3-(4-fluorophenyl)-N-[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]-875194-81-3
Database identifiers
- CAS
875194-81-3- PubChem CID
- 4939744
- DTXSID
DTXSID101040385
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 590
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…