Basic information
- Standard SMILES
CN(CCNC(=NCCCOc1cccc(CN2CCCCC2)c1)NC#N)CCC(c1ccc(Cl)cc1)c1ccccn1- InChIKey
DPYTYYRZPKGSDX-UHFFFAOYSA-N- Molecular formula
- C34H44ClN7O
- Average molar mass
- 602.2 g/mol
- Monoisotopic mass
- 601.3295867
Names & identifiers
- Preferred name
- N-[2-[N-[3-(4-chlorophenyl)-3-(2-pyridyl)propyl]-N-methylamino]ethyl]-N'-cyano-N"-[3-[3-(piperidinomethyl)phenoxy]propyl]guanidine
- IUPAC
- 1-[2-[[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-methylamino]ethyl]-3-cyano-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]guanidine
Names & synonyms
SCHEMBL9595694SCHEMBL9595698SCHEMBL9595702DPYTYYRZPKGSDX-UHFFFAOYSA-NN-[2-[N-[3-(4-chlorophenyl)-3-(2-pyridyl)propyl]-N-methylamino]ethyl]-N'-cyano-N"-[3-[3-(piperidinomethyl)phenoxy]propyl]guanidine
Database identifiers
- PubChem CID
- 53773015
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 836
Related reactions
2 records
Compound notes
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