Basic information
- Standard SMILES
CC(C)c1ccc(-c2csc(N(CC(=O)OC(C)(C)C)Cc3cccs3)n2)cc1- InChIKey
WGJKJSRWTHRVCN-UHFFFAOYSA-N- Molecular formula
- C23H28N2O2S2
- Average molar mass
- 428.6 g/mol
Names & identifiers
- Preferred name
- 2-{Thiophen-2-ylmethyl-[4-(4-isopropyl-phenyl)-thiazol-2-yl]-amino}acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-(thiophen-2-ylmethyl)amino]acetate
Names & synonyms
SCHEMBL3452015WGJKJSRWTHRVCN-UHFFFAOYSA-N2-{thiophen-2-ylmethyl-[4-(4-isopropyl-phenyl)-thiazol-2-yl]-amino}acetic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68647828
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 529
Related reactions
4 records
Compound notes
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