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1-Methyl-3-(3-methylsulfonylphenyl)-1-phenylmethoxyurea

HCID 19967388
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CN(OCc1ccccc1)C(=O)Nc1cccc(S(C)(=O)=O)c1
InChIKey
LUGYVIXJUQDSMU-UHFFFAOYSA-N
Molecular formula
C16H18N2O4S
Average molar mass
334.4 g/mol

Names & identifiers

Preferred name
1-Methyl-3-(3-methylsulfonylphenyl)-1-phenylmethoxyurea
IUPAC
1-methyl-3-(3-methylsulfonylphenyl)-1-phenylmethoxyurea

Names & synonyms

SCHEMBL7608664

Database identifiers

PubChem CID
19967388

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
84.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
483

Related reactions

1 records
New reaction record
HRID 689886 reaction equation
HRID 689886As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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