CC1=C(C#N)C(c2ccc(C#N)cc2S(C)(=O)=O)NC(=O)N1c1cccc(C(F)(F)F)c1
SMILES: CC1=C(C#N)C(c2ccc(C#N)cc2S(C)(=O)=O)NC(=O)N1c1cccc(C(F)(F)F)c1

Molecular Processing

Molecular formula
C21H15F3N4O3S
Molecular weight
460.44
Exact mass
460.0817
XLogP
4.05
TPSA
114.06
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
107.78

Supplementary Information

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