2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 4-methoxybenzoate
Basic information
- CAS
868564-28-7- Standard SMILES
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=S)Nc2ccccc2)cc1- InChIKey
GFQMYCVHGHWHHB-ZVHZXABRSA-N- Molecular formula
- C22H18BrN3O3S
- Average molar mass
- 484.4 g/mol
- Monoisotopic mass
- 483.02523
Names & identifiers
- Preferred name
- 2-(2-(Anilinocarbothioyl)carbohydrazonoyl)-4-bromophenyl 4-methoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
Names & synonyms
AKOS0244138132-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
Database identifiers
- CAS
868564-28-7- PubChem CID
- 9607746
- EC Number
- 136-330-8
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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