CS(=O)(=O)C1=NC=C(C=C1)OC2=C(C=C(C(=C2)N)N)OC3=CC=CC=C3F
名称: 4-(2-fluorophenoxy)-5-[(6-methylsulfonyl-3-pyridinyl)oxy]benzene-1,2-diamine
SMILES: CS(=O)(=O)C1=NC=C(C=C1)OC2=C(C=C(C(=C2)N)N)OC3=CC=CC=C3F

Molecular Processing

Molecular formula
C18H16FN3O4S
Molecular weight
389.41
Exact mass
389.0846
XLogP
3.37
TPSA
117.53
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.056
Molar refractivity
99.16

Supplementary Information

InChIKey: YMEFCOKBXYKPQI-UHFFFAOYSA-N
同義語
SCHEMBL2645388YMEFCOKBXYKPQI-UHFFFAOYSA-N4-(2-fluoro-phenoxy)-5-(6-methanesulfonyl-pyridin-3-yloxy)-benzene-1,2-diamine
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