Basic information
- Standard SMILES
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCCOc1cccc2c1ccn2CC(=O)OC(C)(C)C- InChIKey
OODWJAJRKBSCBX-UHFFFAOYSA-N- Molecular formula
- C28H29F3N2O3S
- Average molar mass
- 530.6 g/mol
Names & identifiers
- Preferred name
- (4-{3-[4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-propoxy}-indol-1-yl)-acetic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[4-[3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]indol-1-yl]acetate
Names & synonyms
(4-{3-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-propoxy}-indol-1-yl)-acetic acid tert-butyl esterSCHEMBL5016714
Database identifiers
- PubChem CID
- 69280204
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 754
Related reactions
4 records
Compound notes
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