4-[3-[N,N-bis(2-hydroxyethyl)amino]propyl]-2-cyclopropylmethyl-6-(3-fluoro-4-methoxyphenyl)-2H-pyridazin-3-one

HCID 21991397

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

Related reactions

5 records

Linked notes

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