N-(1-{[(3-Bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-methylbutanamide
Basic information
- CAS
6131-71-1- Standard SMILES
CC(C)CC(=O)NC(NC(=S)Nc1cccc(Br)c1)C(Cl)(Cl)Cl- InChIKey
LSGYOOLWQBFGAW-UHFFFAOYSA-N- Molecular formula
- C14H17BrCl3N3OS
- Average molar mass
- 461.6 g/mol
- Monoisotopic mass
- 458.93413
Names & identifiers
- Preferred name
- N-(1-{[(3-Bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-methylbutanamide
- IUPAC
- N-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-methylbutanamide
Names & synonyms
6131-71-1N-[1-({[(3-bromophenyl)amino]carbonothioyl}amino)-2,2,2-trichloroethyl]-3-methylbutanamideCBMicro_046730DTXSID40387347CCG-4078AKOS001046028AKOS016879866N-(1-{[(3-Bromophenyl)carbamothioyl]amino}-2,2,2-trichloroethyl)-3-methylbutanamideN-[1-[(3-bromophenyl)carbamothioylamino]-2,2,2-trichloroethyl]-3-methylbutanamideBIM-0046794.P001Z56872201
Database identifiers
- CAS
6131-71-1- PubChem CID
- 2887340
- DTXSID
DTXSID40387347
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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