Basic information
- Standard SMILES
COc1ccc(NC(=S)N2CCN(C3=NC(=O)C(=Cc4ccc(OCc5ccc(C(F)(F)F)cc5C(F)(F)F)c(OC)c4)S3)CC2)cc1- InChIKey
FUAVWPWRMKKXGK-UHFFFAOYSA-N- Molecular formula
- C32H28F6N4O4S2
- Average molar mass
- 710.7 g/mol
- Monoisotopic mass
- 710.14561671
Names & identifiers
- Preferred name
- 4-{5-[1-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy-phenyl]-methylidene]-4-oxo-4,5-dihydro-thiazol-2-yl}-piperazine-1-carbothioic acid (4-methoxy-phenyl)-amide
- IUPAC
- 4-[5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methylidene]-4-oxo-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide
Names & synonyms
4-{5-[1-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy-phenyl]-methylidene]-4-oxo-4,5-dihydro-thiazol-2-yl}-piperazine-1-carbothioic acid (4-methoxy-phenyl)-amideSCHEMBL2200282
Database identifiers
- PubChem CID
- 73042205
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
2 records
Compound notes
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