N-(1-(3-(3-Bromo-phenyl)-thioureido)-2,2,2-trichloro-ethyl)-2-chloro-benzamide
Basic information
- CAS
303754-54-3- Standard SMILES
O=C(NC(NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl)c1ccccc1Cl- InChIKey
GJNPNYSDEOFGSU-UHFFFAOYSA-N- Molecular formula
- C16H12BrCl4N3OS
- Average molar mass
- 516.1 g/mol
- Monoisotopic mass
- 512.86386
Names & identifiers
- Preferred name
- N-(1-(3-(3-Bromo-phenyl)-thioureido)-2,2,2-trichloro-ethyl)-2-chloro-benzamide
- IUPAC
- N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-2-chlorobenzamide
Names & synonyms
AKOS024419384N-(1-(3-(3-BROMO-PHENYL)-THIOUREIDO)-2,2,2-TRICHLORO-ETHYL)-2-CHLORO-BENZAMIDE
Database identifiers
- CAS
303754-54-3- PubChem CID
- 3744784
- EC Number
- 148-622-2
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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