Decanoic acid (2,2,2-trichloro-1-(3-(3-nitro-phenyl)-thioureido)-ethyl)-amide
Basic information
- CAS
302954-12-7- Standard SMILES
CCCCCCCCCC(=O)NC(NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl- InChIKey
PGTKLIMUKXMJKW-UHFFFAOYSA-N- Molecular formula
- C19H27Cl3N4O3S
- Average molar mass
- 497.9 g/mol
- Monoisotopic mass
- 496.086945
Names & identifiers
- Preferred name
- Decanoic acid (2,2,2-trichloro-1-(3-(3-nitro-phenyl)-thioureido)-ethyl)-amide
- IUPAC
- N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]decanamide
- English name
- Decanoic acid (2,2,2-trichloro-1-(3-(3-nitro-phenyl)-thioureido)-ethyl)-amide
- Molecular weight
- 0
Names & synonyms
AKOS024421239DECANOIC ACID (2,2,2-TRICHLORO-1-(3-(3-NITRO-PHENYL)-THIOUREIDO)-ETHYL)-AMIDE
Database identifiers
- CAS
302954-12-7- PubChem CID
- 4464487
- EC Number
- 153-104-4
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 558
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Compound notes
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