2-nitro-N-{2,2,2-trichloro-1-[({[4-(phenyldiazenyl)phenyl]amino}carbonothioyl)amino]ethyl}benzamide
Basic information
- CAS
301358-67-8- Standard SMILES
O=C(NC(NC(=S)Nc1ccc(N=Nc2ccccc2)cc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-]- InChIKey
OAGCQXQUUIRADQ-UHFFFAOYSA-N- Molecular formula
- C22H17Cl3N6O3S
- Average molar mass
- 551.8 g/mol
- Monoisotopic mass
- 550.014843
Names & identifiers
- Preferred name
- 2-nitro-N-{2,2,2-trichloro-1-[({[4-(phenyldiazenyl)phenyl]amino}carbonothioyl)amino]ethyl}benzamide
- IUPAC
- 2-nitro-N-[2,2,2-trichloro-1-[(4-phenyldiazenylphenyl)carbamothioylamino]ethyl]benzamide
Names & synonyms
301358-67-82-nitro-N-{2,2,2-trichloro-1-[({[4-(phenyldiazenyl)phenyl]amino}carbonothioyl)amino]ethyl}benzamideCBDivE_006745DTXSID401039666AKOS016371918Benzamide, 2-nitro-N-[2,2,2-trichloro-1-[[[[4-(2-phenyldiazenyl)phenyl]amino]thioxomethyl]amino]ethyl]-
Database identifiers
- CAS
301358-67-8- PubChem CID
- 2829907
- DTXSID
DTXSID401039666
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 765
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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