N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[(1R)-1-methyl-2-(triphenylmethoxy)ethoxy]-4-pyrimidinyl]-4-pyridinesulfonamide

HCID 53628344

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: C[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1cc(NS(=O)(=O)c2ccncc2)nc(SCc2cccc(F)c2F)n1
InChIKey: ZAMBIDANZXTZPP-HHHXNRCGSA-N
Molecular formula: C38H32F2N4O4S2
Average molar mass: 710.8 g/mol

Names & identifiers

Preferred name: N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[(1R)-1-methyl-2-(triphenylmethoxy)ethoxy]-4-pyrimidinyl]-4-pyridinesulfonamide
IUPAC: N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R)-1-trityloxypropan-2-yl]oxypyrimidin-4-yl]pyridine-4-sulfonamide

Names & synonyms

N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-[(1R)-1-methyl-2-(triphenylmethoxy)ethoxy]-4-pyrimidinyl]-4-pyridinesulfonamideN-[2-[((2,3-difluorophenyl)methyl]thio]-6-[(1R)-1-methyl-2-(triphenylmethoxy)ethoxy)-4-pyrimidinyl]-4-pyridinesulfonamideN-[2-[[(2,3-difluorophenyl)methyl]thio)-6-[(1R)-1-methyl-2-(triphenylmethoxy)ethoxy]-4-pyrimidinyl]-4-pyridinesulfonamideSCHEMBL1487122ZAMBIDANZXTZPP-HHHXNRCGSA-N

Database identifiers

PubChem CID: 53628344

Properties

Computed structural properties

XLogP: 7.8
Topological polar surface area: 137 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 11
Rotatable bonds: 14
Heavy atoms: 50
Formal charge: 0
Complexity: 1,070

Related reactions

8 records

New reaction record

HRID 1024856As reactantuspto-grants-2014_05

HRID 1024859As productuspto-grants-2014_05

HRID 1175359As reactantuspto-grants-2010_11

HRID 1175362As productuspto-grants-2010_11

HRID 1958908As reactantuspto-grants-2013_04

HRID 1958911As productuspto-grants-2013_04

HRID 2388743As reactantuspto-grants-2012_09

HRID 2388746As productuspto-grants-2012_09

Compound notes

Loading…