N-[2-(4,5,7-trifluorobenzothiazol-2-ylthio)acetyl]-N-phenylglycine methyl ester

HCID 21463552
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Basic information

Standard SMILES
COC(=O)CN(C(=O)CSc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1
InChIKey
YYVPFPJVSPWVGK-UHFFFAOYSA-N
Molecular formula
C18H13F3N2O3S2
Average molar mass
426.4 g/mol

Names & identifiers

Preferred name
N-[2-(4,5,7-trifluorobenzothiazol-2-ylthio)acetyl]-N-phenylglycine methyl ester
IUPAC
methyl 2-(N-[2-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]anilino)acetate

Names & synonyms

SCHEMBL8858910YYVPFPJVSPWVGK-UHFFFAOYSA-NN-[2-(4,5,7-trifluorobenzothiazol-2-ylthio)acetyl]-N-phenylglycine methyl ester

Database identifiers

PubChem CID
21463552

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
113 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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