Basic information
- Standard SMILES
CSc1sc(-c2cc(Nc3cccc(OCCCO)c3)ccc2C)c(-c2cccnc2)c1C#N- InChIKey
UJJHMEGJQIQCLB-UHFFFAOYSA-N- Molecular formula
- C27H25N3O2S2
- Average molar mass
- 487.6 g/mol
Names & identifiers
- Preferred name
- 5-{5-[3-(3-Hydroxy-propoxy)-phenylamino]-2-methyl-phenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile
- IUPAC
- 5-[5-[3-(3-hydroxypropoxy)anilino]-2-methylphenyl]-2-methylsulfanyl-4-pyridin-3-ylthiophene-3-carbonitrile
Names & synonyms
SCHEMBL5758010UJJHMEGJQIQCLB-UHFFFAOYSA-N5-{5-[3-(3-Hydroxy-propoxy)-phenylamino]-2-methyl-phenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile5-{5-[3-(3-Hydroxy-propoxy)-phenylamino]-2-methylphenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile
Database identifiers
- PubChem CID
- 22019030
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 674
Related reactions
6 records
Compound notes
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