名称: 4-(2-cyanopyridin-3-yloxy)-5-(6-methanesulfonyl-pyridin-3-yloxy)-benzene-1,2-diamine
SMILES:
CS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2Oc2cccnc2C#N)cn1Molecular Processing
Molecular formula
C24H16N6O4S
Molecular weight
484.5
Exact mass
484.0954
XLogP
4.27
TPSA
143.74
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.042
Molar refractivity
125.77
Supplementary Information
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