Basic information
- CAS
1001808-55-4- Standard SMILES
Cc1cc(C(=O)NNC(=O)c2sccc2C)c(C)o1- InChIKey
CLNGGTMMWFHHLH-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3S
- Average molar mass
- 278.33 g/mol
- Monoisotopic mass
- 278.07251349
Names & identifiers
- Preferred name
- 2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)furan-3-carbohydrazide
- IUPAC
- 2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)furan-3-carbohydrazide
Names & synonyms
2,5-dimethyl-N'-(3-methylthiophene-2-carbonyl)furan-3-carbohydrazideMLS001157354CHEMBL1356047DTXSID601103653HMS3033P23AKOS0168668491001808-55-4SMR000709592Z32992267
Database identifiers
- CAS
1001808-55-4- PubChem CID
- 7600545
- DTXSID
DTXSID601103653- ChEMBL
CHEMBL1356047
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Experimental & physicochemical properties
Solubility32.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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