2-tert-Butyl-4-[(4-phenoxybutyl)amino]-5-phenylisothiazol-3(2H)-one 1,1-dioxide

HCID 11618805
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Basic information

Standard SMILES
CC(C)(C)N1C(=O)C(NCCCCOc2ccccc2)=C(c2ccccc2)S1(=O)=O
InChIKey
GOCPHRNDFRGKSR-UHFFFAOYSA-N
Molecular formula
C23H28N2O4S
Average molar mass
428.5 g/mol

Names & identifiers

Preferred name
2-tert-Butyl-4-[(4-phenoxybutyl)amino]-5-phenylisothiazol-3(2H)-one 1,1-dioxide
IUPAC
2-tert-butyl-1,1-dioxo-4-(4-phenoxybutylamino)-5-phenyl-1,2-thiazol-3-one

Names & synonyms

SCHEMBL2002953GOCPHRNDFRGKSR-UHFFFAOYSA-N2-tert-Butyl-4-[(4-phenoxybutyl)amino]-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Database identifiers

PubChem CID
11618805

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
84.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
30

Related reactions

3 records
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Compound notes

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