Basic information
- CAS
857259-98-4- Standard SMILES
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1Cn1ccc2cc(CC(=O)O)ccc21- InChIKey
ABAXMFLJEPTOAW-UHFFFAOYSA-N- Molecular formula
- C22H17F3N2O2S
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.09628345
Names & identifiers
- Preferred name
- 2-[1-[[4-Methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]-5-indolyl]acetic acid
- IUPAC
- 2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]indol-5-yl]acetic acid
Names & synonyms
2-[1-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]-5-indolyl]acetic acid857259-98-4DTXSID70469443ABAXMFLJEPTOAW-UHFFFAOYSA-N[1-({4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)-1H-indol-5-yl]acetic acid
Database identifiers
- CAS
857259-98-4- PubChem CID
- 11611705
- DTXSID
DTXSID70469443
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 612
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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