CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NNC(N)=S)n2)cc1
名称: [[3-amino-6-(4-isopropylsulfonylphenyl)pyrazine-2-carbonyl]amino]thiourea
SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NNC(N)=S)n2)cc1

Molecular Processing

Molecular formula
C15H18N6O3S2
Molecular weight
394.48
Exact mass
394.0882
XLogP
0.39
TPSA
153.09
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
101.59

Supplementary Information

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