N-(1-(3-(4-Acetyl-phenyl)-thioureido)-2,2,2-trichloro-ethyl)-acetamide
Basic information
- CAS
314749-98-9- Standard SMILES
CC(=O)NC(NC(=S)Nc1ccc(C(C)=O)cc1)C(Cl)(Cl)Cl- InChIKey
TUHFITKWBFUBJH-UHFFFAOYSA-N- Molecular formula
- C13H14Cl3N3O2S
- Average molar mass
- 382.7 g/mol
- Monoisotopic mass
- 380.987231
Names & identifiers
- Preferred name
- N-(1-(3-(4-Acetyl-phenyl)-thioureido)-2,2,2-trichloro-ethyl)-acetamide
- IUPAC
- N-[1-[(4-acetylphenyl)carbamothioylamino]-2,2,2-trichloroethyl]acetamide
Names & synonyms
CBMicro_046858AKOS002686912BIM-0046852.P001SR-01000228707SR-01000228707-1N-(1-(3-(4-ACETYL-PHENYL)-THIOUREIDO)-2,2,2-TRICHLORO-ETHYL)-ACETAMIDEN-[1-({[(4-acetylphenyl)amino]carbonothioyl}amino)-2,2,2-trichloroethyl]acetamide
Database identifiers
- CAS
314749-98-9- PubChem CID
- 2887463
- EC Number
- 160-155-6
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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