Basic information
- Standard SMILES
COc1ccc(-c2cc(CCCN(CCO)CCO)c(=O)n(CC3CC3)n2)cc1F- InChIKey
OLJLLUGPQATUHB-UHFFFAOYSA-N- Molecular formula
- C22H30FN3O4
- Average molar mass
- 419.5 g/mol
Names & identifiers
- Preferred name
- 4-[3-[N,N-bis(2-hydroxyethyl)amino]propyl]-2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one
- IUPAC
- 4-[3-[bis(2-hydroxyethyl)amino]propyl]-2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one
Names & synonyms
SCHEMBL1925620OLJLLUGPQATUHB-UHFFFAOYSA-N4-[3-[N,N-bis(2-hydroxyethyl)amino]propyl]-2-cyclopro pylmethyl-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one4-[3-[N,N-bis(2-hydroxyethyl)amino]propyl]-2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one
Database identifiers
- PubChem CID
- 21991397
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 632
Related reactions
5 records
Linked notes
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