2,4-Dichloro-N-(2,2,2-trichloro-1-(3-(4-I-phenyl)-thioureido)-ethyl)-benzamide
Basic information
- CAS
303754-21-4- Standard SMILES
O=C(NC(NC(=S)Nc1ccc(I)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl- InChIKey
OTMLBTNPACFGJF-UHFFFAOYSA-N- Molecular formula
- C16H11Cl5IN3OS
- Average molar mass
- 597.5 g/mol
- Monoisotopic mass
- 594.81102
Names & identifiers
- Preferred name
- 2,4-Dichloro-N-(2,2,2-trichloro-1-(3-(4-I-phenyl)-thioureido)-ethyl)-benzamide
- IUPAC
- 2,4-dichloro-N-[2,2,2-trichloro-1-[(4-iodophenyl)carbamothioylamino]ethyl]benzamide
Names & synonyms
AKOS0026868322,4-DICHLORO-N-(2,2,2-TRICHLORO-1-(3-(4-I-PHENYL)-THIOUREIDO)-ETHYL)-BENZAMIDE
Database identifiers
- CAS
303754-21-4- PubChem CID
- 3756500
- EC Number
- 148-411-5
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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