COC1=CC(=C(C=C1C2=NC3=NC(=NC=C3N2)OC)S(=O)(=O)Cl)Cl
이름: 2-chloro-4-methoxy-5-(2-methoxy-7H-purin-8-yl)benzenesulfonyl chloride
SMILES: COC1=CC(=C(C=C1C2=NC3=NC(=NC=C3N2)OC)S(=O)(=O)Cl)Cl

Molecular Processing

Molecular formula
C13H10Cl2N4O4S
Molecular weight
389.22
Exact mass
387.98
XLogP
2.62
TPSA
107.06
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
88.27

Supplementary Information

InChIKey: GKPOCEBFYHDUBF-UHFFFAOYSA-N
동의어
SCHEMBL10688260SCHEMBL10688273GKPOCEBFYHDUBF-UHFFFAOYSA-N2-methoxy-8-(2-methoxy-4-chloro-5-chlorosulfonyl-phenyl)-purine
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