Basic information
- CAS
314750-44-2- Standard SMILES
COc1cc(Br)c(NC(=S)NC(NC(=O)c2ccccc2Br)C(Cl)(Cl)Cl)c(Br)c1- InChIKey
YDAVCWLNZBRYOM-UHFFFAOYSA-N- Molecular formula
- C17H13Br3Cl3N3O2S
- Average molar mass
- 669.4 g/mol
- Monoisotopic mass
- 664.73442
Names & identifiers
- Preferred name
- 2-BR-N-(2,2,2-Trichloro-1-(3-(2,6-dibromo-4-meo-PH)-thioureido)-ethyl)-benzamide
- IUPAC
- 2-bromo-N-[2,2,2-trichloro-1-[(2,6-dibromo-4-methoxyphenyl)carbamothioylamino]ethyl]benzamide
Names & synonyms
AKOS0026869032-BR-N-(2,2,2-TRICHLORO-1-(3-(2,6-DIBROMO-4-MEO-PH)-THIOUREIDO)-ETHYL)-BENZAMIDE
Database identifiers
- CAS
314750-44-2- PubChem CID
- 4583937
- EC Number
- 162-658-6
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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