Basic information
- CAS
791083-25-5- Standard SMILES
COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1COc2ccccc2O1- InChIKey
UBQVTECZFOPFCR-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O5
- Average molar mass
- 390.8 g/mol
- Monoisotopic mass
- 390.0982494
Names & identifiers
- Preferred name
- N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
- IUPAC
- N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Names & synonyms
MLS002244979N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamideCHEMBL1876886DTXSID701323913HMS3062P12AKOS033983120791083-25-5SMR001308648SR-01000059275SR-01000059275-1Z26927359N-[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Database identifiers
- CAS
791083-25-5- PubChem CID
- 4875597
- DTXSID
DTXSID701323913- ChEMBL
CHEMBL1876886
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 534
Experimental & physicochemical properties
Solubility43.1 [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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