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Methyl 2-(6-chloropyridazin-3-yl)-2-[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]acetate

HCID 90944119
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(c1ccc(Cl)nn1)c1cc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)ccc1Cl
InChIKey
FBCFZSQXNPOGND-UHFFFAOYSA-N
Molecular formula
C47H44Cl2N2O7
Average molar mass
819.8 g/mol

Names & identifiers

Preferred name
Methyl 2-(6-chloropyridazin-3-yl)-2-[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]acetate
IUPAC
methyl 2-(6-chloropyridazin-3-yl)-2-[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]acetate

Database identifiers

PubChem CID
90944119

Properties

Computed structural properties

XLogP
8.1
Topological polar surface area
98.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
18
Heavy atoms
58
Formal charge
0
Complexity
1,180

Related reactions

1 records
New reaction record
HRID 93708 reaction equation
HRID 93708As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes