Basic information
- Standard SMILES
CCOc1cc(CN(c2ccc(C#N)cc2)c2nc3ccccc3s2)c(F)c(OC(C)C)c1- InChIKey
SUAPUBNEXISQBB-UHFFFAOYSA-N- Molecular formula
- C26H24FN3O2S
- Average molar mass
- 461.6 g/mol
Names & identifiers
- Preferred name
- 4-(Benzo[d]thiazol-2-yl(5-ethoxy-2-fluoro-3-isopropoxyphenyl)methylamino)benzonitrile
- IUPAC
- 4-[1,3-benzothiazol-2-yl-[(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)methyl]amino]benzonitrile
Names & synonyms
SCHEMBL3858786SUAPUBNEXISQBB-UHFFFAOYSA-N4-(benzo[d]thiazol-2-yl(5-ethoxy-2-fluoro-3-isopropoxyphenyl)methylamino)benzonitrile
Database identifiers
- PubChem CID
- 68816632
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 665
Related reactions
2 records
Compound notes
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