Basic information
- CAS
200345-93-3- Standard SMILES
CCOC(=O)c1c(O)n(C(=O)Nc2ccc(C)cc2)c2cc(C(F)(F)F)ccc12- InChIKey
YMEXYIFTFLKKQK-UHFFFAOYSA-N- Molecular formula
- C20H17F3N2O4
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.11404151
Overview
CGS 7181 is an indolecarboxamide.
Names & identifiers
- Preferred name
- Cgs-7181
- IUPAC
- ethyl 2-hydroxy-1-[(4-methylphenyl)carbamoyl]-6-(trifluoromethyl)indole-3-carboxylate
Names & synonyms
CGS-7181200345-93-3CGS 7181P78LWY7Y5T1H-Indole-3-carboxylic acid, 1-(((4-methylphenyl)amino)carbonyl)-2-hydroxy-6-(trifluoromethyl)-, ethyl ester1H-Indole-3-carboxylic acid, 2-hydroxy-1-(((4-methylphenyl)amino)carbonyl)-6-(trifluoromethyl)-, ethyl esterRefChem:918338CGS7181UNII-P78LWY7Y5Tethyl 2-hydroxy-1-[(4-methylphenyl)carbamoyl]-6-(trifluoromethyl)indole-3-carboxylateCHEBI:34601STDLAFOTNKYESJ-VLGSPTGOSA-N
Show more names
Q27116173
Database identifiers
- CAS
200345-93-3- PubChem CID
- 656759
- ChEBI
CHEBI:34601- UNII
- P78LWY7Y5T
- Nikkaji
- J895.809B
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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