Название: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3-methoxybenzenesulfonyl chloride

SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=C(C=C3)S(=O)(=O)Cl)OC

Molecular Processing

Molecular formula

C14H13ClN4O5S

Molecular weight

384.8

Exact mass

384.0295

XLogP

0.56

TPSA

116.05

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

0.214

Molar refractivity

91.6

Supplementary Information

InChIKey: YHDKCGFXJBSBGZ-UHFFFAOYSA-N

Синонимы

SCHEMBL10689195YHDKCGFXJBSBGZ-UHFFFAOYSA-N1,3-dimethyl-8-(2-methoxy-4-chlorosulfonyl-phenyl)-1H,3H-purin-2,6-dione