5-Methyl-pyridine-2-sulfonic acid [2-(3-benzyloxy-phenyl)-6-methoxy-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide

HCID 53801719
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2cccc(OCc3ccccc3)c2)nc1OC
InChIKey
FIXCSTDNIBSFSH-UHFFFAOYSA-N
Molecular formula
C31H28N4O6S
Average molar mass
584.6 g/mol

Names & identifiers

Preferred name
5-Methyl-pyridine-2-sulfonic acid [2-(3-benzyloxy-phenyl)-6-methoxy-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide
IUPAC
N-[6-methoxy-5-(2-methoxyphenoxy)-2-(3-phenylmethoxyphenyl)pyrimidin-4-yl]-5-methylpyridine-2-sulfonamide

Names & synonyms

FIXCSTDNIBSFSH-UHFFFAOYSA-N5-methyl-pyridine-2-sulfonic acid [2-(3-benzyloxy-phenyl)-6-methoxy-5-(2-methoxy-phenoxy)-pyrimidin-4-yl]-amide

Database identifiers

PubChem CID
53801719

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
130 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
11
Heavy atoms
42

Related reactions

2 records
New reaction record

Linked notes

Loading…