Basic information
- Standard SMILES
COc1ccc(Nc2nc(NC3CCN(C)CC3)nc(NN3CCCCCC3)n2)cc1Cl- InChIKey
AMSUEKUGTGHVEV-UHFFFAOYSA-N- Molecular formula
- C22H33ClN8O
- Average molar mass
- 461 g/mol
- Monoisotopic mass
- 460.2465854
Names & identifiers
- Preferred name
- N-Azepan-1-yl-N'-(3-chloro-4-methoxy-phenyl)-N''-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4,6-triamine
- IUPAC
- 4-N-(azepan-1-yl)-2-N-(3-chloro-4-methoxyphenyl)-6-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
Names & synonyms
SCHEMBL4829362AMSUEKUGTGHVEV-UHFFFAOYSA-NN-Azepan-1-yl-N'-(3-chloro-4-methoxy-phenyl)-N''-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4,6-triamine
Database identifiers
- PubChem CID
- 21897034
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 544
Related reactions
12 records
Compound notes
Loading…