Basic information
- CAS
7181-23-9- Standard SMILES
Nc1nc(CCN2CCN(c3ccc(Cl)cc3)CC2)nc(Nc2ccc(Cl)cc2)n1- InChIKey
AJFCEHDJZMYXOY-UHFFFAOYSA-N- Molecular formula
- C21H23Cl2N7
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 443.1391992
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, N-(4-chlorophenyl)-6-(2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl)-
- IUPAC
- 2-N-(4-chlorophenyl)-6-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
Names & synonyms
BRN 06333817181-23-91,3,5-Triazine-2,4-diamine, N-(4-chlorophenyl)-6-(2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl)-DTXSID40222087N-(4-Chlorophenyl)-6-(2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl)-1,3,5-triazine-2,4-diamineRefChem:217398DTXCID40144578N~2~-(4-Chlorophenyl)-6-{2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl}-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
7181-23-9- PubChem CID
- 201953
- DTXSID
DTXSID40222087
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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