COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccc(Br)s1
名称: N-(methoxyethoxymethyl)-N-(3,4-dimethyl-5-isoxazolyl)-5-bromothiophene-2-sulfonamide
SMILES: COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccc(Br)s1

Molecular Processing

Molecular formula
C13H17BrN2O5S2
Molecular weight
425.33
Exact mass
423.9762
XLogP
2.93
TPSA
81.87
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
90.36

Supplementary Information

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