Basic information
- CAS
685100-40-7- Standard SMILES
O=C(NC(NC(=S)Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(Cl)(Cl)Cl)c1cccc(I)c1- InChIKey
HWWQSCIEWXDARR-UHFFFAOYSA-N- Molecular formula
- C35H27Cl3IN3OS
- Average molar mass
- 770.9 g/mol
- Monoisotopic mass
- 768.99851
Names & identifiers
- Preferred name
- 3-Iodo-N-(2,2,2-trichloro-1-(((4-tritylanilino)carbothioyl)amino)ethyl)benzamide
- IUPAC
- 3-iodo-N-[2,2,2-trichloro-1-[(4-tritylphenyl)carbamothioylamino]ethyl]benzamide
Names & synonyms
AKOS0244088923-IODO-N-(2,2,2-TRICHLORO-1-(((4-TRITYLANILINO)CARBOTHIOYL)AMINO)ETHYL)BENZAMIDE
Database identifiers
- CAS
685100-40-7- PubChem CID
- 4443005
- EC Number
- 126-688-3
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 879
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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