Basic information
- Standard SMILES
COC(=O)C1(C)CCC(C(C)(O)c2ncc(-c3cc(C)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CC1- InChIKey
VSHHVPFKBQBXKM-UHFFFAOYSA-N- Molecular formula
- C26H29F3N4O3S
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.19124646
Names & identifiers
- Preferred name
- Methyl 4-{1-hydroxy-1-[5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]ethyl}-1-methylcyclohexanecarboxylate
- IUPAC
- methyl 4-[1-hydroxy-1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]ethyl]-1-methylcyclohexane-1-carboxylate
Names & synonyms
methyl 4-{1-hydroxy-1-[5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]ethyl}-1-methylcyclohexanecarboxylateSCHEMBL15733054
Database identifiers
- PubChem CID
- 86720198
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 798
Related reactions
2 records
Compound notes
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