Basic information
- Standard SMILES
CN(C)C=Nc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(C#N)cc2)n1- InChIKey
WQEMDXNZAJYTOF-UHFFFAOYSA-N- Molecular formula
- C20H17Cl2N7
- Average molar mass
- 426.3 g/mol
Names & identifiers
- Preferred name
- 4-[[4-[(2,6-Dichlorophenyl)methyl]-6-[[(dimethylamino)methylene]amino]-1,3,5-triazin-2-yl]amino]benzonitrile
- IUPAC
- N'-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide
Names & synonyms
SCHEMBL5002088SCHEMBL5002091WQEMDXNZAJYTOF-UHFFFAOYSA-N4-[[4-[(2,6-dichlorophenyl)methyl] -6-[[(dimethylamino)methylene] amino] -1,3,5-triazin-2-yl]amino]benzonitrile4-[[4-[(2,6-dichlorophenyl)methyl]-6-[[(dimethylamino)methylene]amino]-1,3,5-triazin-2-yl]amino]benzonitrile
Database identifiers
- PubChem CID
- 486445
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 575
Related reactions
5 records
Compound notes
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