Basic information
- Standard SMILES
CC(=O)Nc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(C#N)cc2)n1- InChIKey
BFQKBYHHLDVGBJ-UHFFFAOYSA-N- Molecular formula
- C19H14Cl2N6O
- Average molar mass
- 413.3 g/mol
Names & identifiers
- Preferred name
- N-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]acetamide
- IUPAC
- N-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]acetamide
Names & synonyms
N-(4-[(4-cyanophenyl)amino]-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-acetamideN-[4-[(4-cyanophenyl)amino]-6-[(2,6-dichlorophenyl)methyl)-1,3,5-triazin-2-yl]-acetamideN-[4-[(4-cyanophenyl)amino]-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-acetamideCHEMBL70613SCHEMBL5005548BFQKBYHHLDVGBJ-UHFFFAOYSA-NN-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]acetamideN-[4-[(4-cyanophenyl)amino]-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]acetamideN-{3-[(2,6-Dichlorophenyl)methyl]-5-[(4-cyanophenyl)amino]1,3,5-triazin-2-yl}acetamide
Database identifiers
- PubChem CID
- 486444
- ChEMBL
CHEMBL70613- Nikkaji
- J1.588.606D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 566
Related reactions
5 records
Compound notes
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