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
- Formal charge
- 0
- Complexity
- 503
Related reactions
33 records
Compound notes
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