5-{5-[3-(3-Dimethylamino-propoxy)-phenylamino]-2-methylphenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile
Basic information
- Standard SMILES
CSc1sc(-c2cc(Nc3cccc(OCCCN(C)C)c3)ccc2C)c(-c2cccnc2)c1C#N- InChIKey
YQCXZOMZNHTHGU-UHFFFAOYSA-N- Molecular formula
- C29H30N4OS2
- Average molar mass
- 514.7 g/mol
Names & identifiers
- Preferred name
- 5-{5-[3-(3-Dimethylamino-propoxy)-phenylamino]-2-methylphenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile
- IUPAC
- 5-[5-[3-[3-(dimethylamino)propoxy]anilino]-2-methylphenyl]-2-methylsulfanyl-4-pyridin-3-ylthiophene-3-carbonitrile
Names & synonyms
SCHEMBL5756142YQCXZOMZNHTHGU-UHFFFAOYSA-N5-{5-[3-(3-Dimethylamino-propoxy)-phenylamino]-2-methyl-phenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile5-{5-[3-(3-Dimethylamino-propoxy)-phenylamino]-2-methylphenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile
Database identifiers
- PubChem CID
- 22019033
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 715
Related reactions
3 records
Compound notes
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