Name: N-[6-chloro-5-(4-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]-2-phenylethanesulfonamide
SMILES:
CC1=CC=C(C=C1)C2=C(N=C(N=C2Cl)C3=CC=NC=C3)NS(=O)(=O)CCC4=CC=CC=C4Molecular Processing
Molecular formula
C24H21ClN4O2S
Molecular weight
464.98
Exact mass
464.1074
XLogP
5.15
TPSA
84.84
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
128
Supplementary Information
InChIKey: QSNGJLJGUSQYLT-UHFFFAOYSA-N
Synonyms
QSNGJLJGUSQYLT-UHFFFAOYSA-N2-phenyl-ethanesulfonic acid (6-chloro-2-pyridin-4-yl-5-p-tolyl-pyrimidin-4-yl)-amide
Involved in 3 reactions→