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Ethyl 2-[[6-[3-(4-benzhydryloxypiperidin-1-yl)propoxy]-[1,2,4]triazolo[1,5-b]pyridazine-2-carbonyl]amino]-2-methylpropanoate

HCID 22989330
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)C(C)(C)NC(=O)c1nc2ccc(OCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)nn2n1
InChIKey
YWAUUSNUXFPKEP-UHFFFAOYSA-N
Molecular formula
C33H40N6O5
Average molar mass
600.7 g/mol

Names & identifiers

Preferred name
Ethyl 2-[[6-[3-(4-benzhydryloxypiperidin-1-yl)propoxy]-[1,2,4]triazolo[1,5-b]pyridazine-2-carbonyl]amino]-2-methylpropanoate
IUPAC
ethyl 2-[[6-[3-(4-benzhydryloxypiperidin-1-yl)propoxy]-[1,2,4]triazolo[1,5-b]pyridazine-2-carbonyl]amino]-2-methylpropanoate

Names & synonyms

SCHEMBL6621949

Database identifiers

PubChem CID
22989330

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
120 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
14
Heavy atoms
44
Formal charge
0
Complexity
885

Related reactions

1 records
New reaction record
HRID 953249 reaction equation
HRID 953249As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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