Basic information
- CAS
956573-78-7- Standard SMILES
Cc1c(Cl)cccc1N1C(=O)CC(NNC(=O)c2ccc3c(c2)OCO3)C1=O- InChIKey
UUJVJRVIZVOPSX-UHFFFAOYSA-N- Molecular formula
- C19H16ClN3O5
- Average molar mass
- 401.8 g/mol
- Monoisotopic mass
- 401.0778483
Names & identifiers
- Preferred name
- N'-[1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1,3-benzodioxole-5-carbohydrazide
- IUPAC
- N'-[1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1,3-benzodioxole-5-carbohydrazide
Names & synonyms
ZINC02656225N'-[1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-1,3-benzodioxole-5-carbohydrazideMLS002252489CHEMBL1875065DTXSID001324441HMS3049P11ZINC02656226AKOS034470422956573-78-7SMR001314833Z57014453N'-[1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2H-1,3-benzodioxole-5-carbohydrazide
Database identifiers
- CAS
956573-78-7- PubChem CID
- 3950801
- DTXSID
DTXSID001324441- ChEMBL
CHEMBL1875065
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 647
Experimental & physicochemical properties
Solubility41.2 [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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