{3-[(4-Thiazol-2-yl-benzylamino)-methyl]-phenoxy}-acetic Acid Tert-butyl Ester

HCID 53752425

Basic information

Standard SMILES
CC(C)(C)OC(=O)COc1cccc(CNCc2ccc(-c3nccs3)cc2)c1
InChIKey
DCBVHBWTSHAGMZ-UHFFFAOYSA-N
Molecular formula
C23H26N2O3S
Average molar mass
410.5 g/mol

Names & identifiers

Preferred name
{3-[(4-Thiazol-2-yl-benzylamino)-methyl]-phenoxy}-acetic Acid Tert-butyl Ester
IUPAC
tert-butyl 2-[3-[[[4-(1,3-thiazol-2-yl)phenyl]methylamino]methyl]phenoxy]acetate

Names & synonyms

SCHEMBL5048180DCBVHBWTSHAGMZ-UHFFFAOYSA-N{3-[(4-thiazol-2-yl-benzylamino)-methyl-]-phenoxy}-acetic acid tert butyl ester{3-[(4-Thiazol-2-yl-benzylamino)-methyl]-phenoxy}-acetic Acid Tert-butyl Ester

Database identifiers

PubChem CID
53752425

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
88.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
29

Related reactions

33 records

Compound notes

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