Basic information
- Standard SMILES
COc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCN(C)CC3)n2)cc1Cl- InChIKey
ZYYJJEMIFCPDME-UHFFFAOYSA-N- Molecular formula
- C24H36ClN7O
- Average molar mass
- 474 g/mol
- Monoisotopic mass
- 473.2669865
Names & identifiers
- Preferred name
- N-(3-Chloro-4-methoxy-phenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4,6-triamine
- IUPAC
- 6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
Names & synonyms
SCHEMBL4829075ZYYJJEMIFCPDME-UHFFFAOYSA-NN-(3-Chloro-4-methoxy-phenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl-piperidin-4-yl)-[1,3,5]triazine-2,4,6-triamineN-(3-chloro-4-methoxyphenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl piperidin-4-yl)[1,3,5]triazine-2,4,6-triamineN-(3-chloro-4-methoxyphenyl)-N'-cycloheptyl-N''-methyl-N''-(1-methylpiperidin-4-yl)[1,3,5]triazine-2,4,6-triamineN-(3-chloro-4-methoxypheyl)-N'-cycloheptyl-N''-methyl-N''-(1-methyl piperidin-4-yl)[1,3,5]triazine-2,4,6-triamine
Database identifiers
- PubChem CID
- 21896974
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 571
Related reactions
23 records
Compound notes
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