Название: 4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-[(5-nitro-2-pyridinyl)oxy]ethoxy]pyrimidin-4-yl]benzenesulfonamide

SMILES: CC1=CC=C(C=C1)C2=C(N=CN=C2OCCOC3=NC=C(C=C3)[N+](=O)[O-])NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Molecular Processing

Molecular formula

C28H29N5O6S

Molecular weight

563.64

Exact mass

563.1839

XLogP

5.31

TPSA

146.44

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

0.25

Molar refractivity

150.04

Supplementary Information

InChIKey: ATLPAHLAJUCWGJ-UHFFFAOYSA-N

Синонимы

SCHEMBL8659517ATLPAHLAJUCWGJ-UHFFFAOYSA-N4-tert-butyl-N-{5-(4-methylphenyl)-6-{2-(5-nitropyridin-2-yloxy)ethoxy}pyrimidin-4-yl}benzenesulfonamide