N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
Basic information
- CAS
771499-04-8- Standard SMILES
COc1cc(SC)ccc1C(=O)NNC(=O)C1COc2ccccc2O1- InChIKey
UPACXODVWOQRJW-UHFFFAOYSA-N- Molecular formula
- C18H18N2O5S
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.09364285
Names & identifiers
- Preferred name
- N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
- IUPAC
- N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
Names & synonyms
N'-(2-methoxy-4-methylsulfanylbenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazideMLS002248883CHEMBL1712065DTXSID201326479HMS3083A08AKOS033987952771499-04-8SMR001316340Z27056138N'-[2-methoxy-4-(methylsulfanyl)benzoyl]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
Database identifiers
- CAS
771499-04-8- PubChem CID
- 3920151
- DTXSID
DTXSID201326479- ChEMBL
CHEMBL1712065
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 506
Experimental & physicochemical properties
Solubility1.4 [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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