5-bromo-N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-3-carbohydrazide
Basic information
- CAS
852959-67-2- Standard SMILES
CCc1sc(C(=O)NNC(=O)c2cncc(Br)c2)cc1C- InChIKey
VKTYTXPJHDFRHS-UHFFFAOYSA-N- Molecular formula
- C14H14BrN3O2S
- Average molar mass
- 368.25 g/mol
- Monoisotopic mass
- 366.99901
Names & identifiers
- Preferred name
- 5-bromo-N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-3-carbohydrazide
- IUPAC
- 5-bromo-N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-3-carbohydrazide
Names & synonyms
5-bromo-N'-(5-ethyl-4-methylthiophene-2-carbonyl)pyridine-3-carbohydrazideMLS002251989CHEMBL1878271DTXSID001322045HMS3048M18AKOS034174074852959-67-2SMR001314345Z31888052
Database identifiers
- CAS
852959-67-2- PubChem CID
- 4789693
- DTXSID
DTXSID001322045- ChEMBL
CHEMBL1878271
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Experimental & physicochemical properties
Solubility8.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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