Basic information
- Standard SMILES
CCCCc1c(-c2ccccc2)nnc(Cl)c1CN(Cc1cccc(OCC)c1)Cc1ccc2c(c1)OCO2- InChIKey
FQUDFGHVCGMKNM-UHFFFAOYSA-N- Molecular formula
- C32H34ClN3O3
- Average molar mass
- 544.1 g/mol
Names & identifiers
- Preferred name
- Benzo[1,3]dioxol-5-ylmethyl-(5-butyl-3-chloro-6-phenyl-pyridazin-4-ylmethyl)-(3-ethoxy-benzyl)-amine
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-butyl-3-chloro-6-phenylpyridazin-4-yl)methyl]-1-(3-ethoxyphenyl)methanamine
Names & synonyms
SCHEMBL650109FQUDFGHVCGMKNM-UHFFFAOYSA-NBenzo[1,3]dioxol-5-ylmethyl-(5-butyl-3-chloro-6-phenyl-pyridazin-4-ylmethyl)-(3-ethoxy-benzyl)-amine
Database identifiers
- PubChem CID
- 18437597
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 710
Related reactions
3 records
Compound notes
Loading…