Basic information
- Standard SMILES
CN(CCCc1ccc(Cl)cc1)c1nc(NCCc2ccc(O)cc2)nc(N2CCN(Cc3cccnc3)CC2)n1- InChIKey
CDAFOCZZOLXAMW-UHFFFAOYSA-N- Molecular formula
- C31H37ClN8O
- Average molar mass
- 573.1 g/mol
Names & identifiers
- Preferred name
- 4-[2-({4-[[3-(4-Chlorophenyl)propyl](methyl)amino]-6-[4-(3-pyridinylmethyl)-1-piperazinyl]-1,3,5-triazin-2-yl}amino)ethyl]phenol
- IUPAC
- 4-[2-[[4-[3-(4-chlorophenyl)propyl-methylamino]-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]ethyl]phenol
Names & synonyms
CHEMBL153471SCHEMBL6343363CDAFOCZZOLXAMW-UHFFFAOYSA-NBDBM501216004-[2-({4-[[3-(4-chlorophenyl)propyl](methyl)amino]-6-[4-(3-pyridinylmethyl)-1-piperazinyl]-1,3,5-triazin-2-yl}amino)ethyl]phenol4-{2-[4-{[3-(4-Chloro-phenyl)-propyl]-methyl-amino}-6-(4-pyridin-3-ylmethyl-piperazin-1-yl)-[1,3,5]triazin-2-ylamino]-ethyl}-phenol
Database identifiers
- PubChem CID
- 10144672
- ChEMBL
CHEMBL153471
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 727
Related reactions
2 records
Compound notes
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