5-Bromo-2-methoxy-N-[[[4-(2-methylpropoxy)phenyl]amino]thioxomethyl]benzamide
Basic information
- CAS
914207-86-6- Standard SMILES
COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc(OCC(C)C)cc1- InChIKey
REEGYNGPQXHDDC-UHFFFAOYSA-N- Molecular formula
- C19H21BrN2O3S
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 436.04563
Names & identifiers
- Preferred name
- 5-Bromo-2-methoxy-N-[[[4-(2-methylpropoxy)phenyl]amino]thioxomethyl]benzamide
- IUPAC
- 5-bromo-2-methoxy-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
Names & synonyms
DTXSID1011398475-Bromo-2-methoxy-N-[[[4-(2-methylpropoxy)phenyl]amino]thioxomethyl]benzamideAKOS003521684914207-86-65-Bromo-2-methoxy-N-{[4-(2-methylpropoxy)phenyl]carbamothioyl}benzamide
Database identifiers
- CAS
914207-86-6- PubChem CID
- 17094580
- DTXSID
DTXSID101139847
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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