Basic information
- Standard SMILES
COc1cc(C(F)(F)F)cc(OC)c1-c1csc(NC(=O)c2cc3ccccc3n2CC(=O)OC(C)(C)C)n1- InChIKey
HULFHAUTMZTERG-UHFFFAOYSA-N- Molecular formula
- C27H26F3N3O5S
- Average molar mass
- 561.6 g/mol
- Monoisotopic mass
- 561.1545266
Names & identifiers
- Preferred name
- N-[4-(4-Trifluoromethyl-2,6-dimethoxyphenyl)-2-thiazolyl]-1-(tert-butoxycarbonylmethyl)indole-2-carboxamide
- IUPAC
- tert-butyl 2-[2-[[4-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]indol-1-yl]acetate
Names & synonyms
N-[4-(4-Trifluoromethyl-2,6-dimethoxyphenyl)-2-thiazolyl]-1-(tert-butoxycarbonylmethyl)indole-2-carboxamideSCHEMBL8895949
Database identifiers
- PubChem CID
- 19028034
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 859
Related reactions
1 records
Compound notes
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