Tert-butyl 5-(biphenyl-4-ylmethyl)-1,1-dioxo-1,2,5-thiadiazolidine-2-acetate

HCID 54373566
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Basic information

Standard SMILES
CC(C)(C)OC(=O)CN1CCN(Cc2ccc(-c3ccccc3)cc2)S1(=O)=O
InChIKey
UUXHSLJTFJBZPX-UHFFFAOYSA-N
Molecular formula
C21H26N2O4S
Average molar mass
402.5 g/mol
Monoisotopic mass
402.16132849

Names & identifiers

Preferred name
Tert-butyl 5-(biphenyl-4-ylmethyl)-1,1-dioxo-1,2,5-thiadiazolidine-2-acetate
IUPAC
tert-butyl 2-[1,1-dioxo-5-[(4-phenylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetate

Names & synonyms

SCHEMBL4673164UUXHSLJTFJBZPX-UHFFFAOYSA-Ntert-butyl 5-(biphenyl-4-ylmethyl)-1,1-dioxo-1,2,5-thiadiazolidine-2-acetate

Database identifiers

PubChem CID
54373566

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
75.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
28

Related reactions

5 records
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Compound notes

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