4-[(tert-Butoxycarbonyl-ethoxycarbonylmethyl-amino)-methyl]-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester

HCID 68427403
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Basic information

Standard SMILES
CCOC(=O)CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC)C(=O)OC(C)(C)C
InChIKey
JBIVLLQDPGYKGM-UHFFFAOYSA-N
Molecular formula
C23H27F3N2O6S
Average molar mass
516.5 g/mol

Names & identifiers

Preferred name
4-[(tert-Butoxycarbonyl-ethoxycarbonylmethyl-amino)-methyl]-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester
IUPAC
ethyl 4-[[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

Names & synonyms

4-[(tert-Butoxycarbonyl-ethoxycarbonylmethyl-amino)-methyl]-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl esterSCHEMBL2883561

Database identifiers

PubChem CID
68427403

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
123 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
11
Rotatable bonds
12
Heavy atoms
35

Related reactions

3 records
New reaction record

Compound notes

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