Name: N-[6-chloro-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-2-phenylethanesulfonamide

SMILES: COC1=CC=CC=C1OC2=C(N=C(N=C2Cl)C3=CC=NC=C3)NS(=O)(=O)CCC4=CC=CC=C4

Molecular Processing

Molecular formula

C24H21ClN4O4S

Molecular weight

496.98

Exact mass

496.0972

XLogP

4.98

TPSA

103.3

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.125

Molar refractivity

130.9

Supplementary Information

InChIKey: PCVNRVJZGQHYNG-UHFFFAOYSA-N

Synonyms

PCVNRVJZGQHYNG-UHFFFAOYSA-N2-phenyl-ethanesulfonic acid [6-chloro-5-(2-methoxy-phenoxy)-2-pyridin-4-yl-pyrimidin-4-yl]-amide