Basic information
- Standard SMILES
COC(=O)CCc1ccc(OCC(C)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)cc1C- InChIKey
HMCACCHWZLQNHW-UHFFFAOYSA-N- Molecular formula
- C27H30F3NO3S
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.18984948
Names & identifiers
- Preferred name
- 3-(4-(2-[4-Isopropyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-propoxy}-2-methyl-phenyl)-propionic acid methyl ester
- IUPAC
- methyl 3-[2-methyl-4-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]propanoate
Names & synonyms
3-(4-(2-[4-Isopropyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-propoxy}-2-methyl-phenyl)-propionic acid methyl ester3-(4-{2-[4-Isopropyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-yl]-propoxy}-2-methyl-phenyl)-propionic acid methyl esterSCHEMBL5221269
Database identifiers
- PubChem CID
- 69358904
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 669
Related reactions
4 records
Compound notes
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