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Basic information
- Standard SMILES
CCOC(=O)Cn1ccc2ccc(OCc3c(Br)c(-c4ccc(C(F)(F)F)cc4)nn3C)cc21- InChIKey
VSBGIQJYJLMWSJ-UHFFFAOYSA-N- Molecular formula
- C24H21BrF3N3O3
- Average molar mass
- 536.3 g/mol
- Monoisotopic mass
- 535.07184
Names & identifiers
- Preferred name
- {6-[4-bromo-2-methyl-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-ylmethoxy]-indol-1-yl}-acetic acid ethyl ester
- IUPAC
- ethyl 2-[6-[[4-bromo-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methoxy]indol-1-yl]acetate
Names & synonyms
{6-[4-bromo-2-methyl-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-ylmethoxy]-indol-1-yl}-acetic acid ethyl esterSCHEMBL5023737
Database identifiers
- PubChem CID
- 69282998
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 692
Related reactions
4 records
Compound notes
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