Basic information
- Standard SMILES
Cc1c(Nc2c(C#N)cncc2-c2ccc(OCCCl)cc2)cc(Cl)c2[nH]ccc12- InChIKey
LLYSBIOSDOUMOI-UHFFFAOYSA-N- Molecular formula
- C23H18Cl2N4O
- Average molar mass
- 437.3 g/mol
Names & identifiers
- Preferred name
- 5-[4-(2-chloroethoxy)phenyl]-4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]nicotinonitrile
- IUPAC
- 5-[4-(2-chloroethoxy)phenyl]-4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
Names & synonyms
SCHEMBL2982205LLYSBIOSDOUMOI-UHFFFAOYSA-N5-[4-(2-chloroethoxy)phenyl]-4-[(7-chloro-4-methyl-1H-indol-5-yl)amino]nicotinonitrile
Database identifiers
- PubChem CID
- 68465645
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 605
Related reactions
6 records
Compound notes
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