이름: 4-fluoro-N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)benzamide
SMILES:
COc1cc(Nc2ncc(C(C)NC(=O)c3ccc(F)cc3)nn2)cc(OC)c1OCMolecular Processing
Molecular formula
C21H22FN5O4
Molecular weight
427.44
Exact mass
427.1656
XLogP
3.27
TPSA
107.49
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
111.49
Supplementary Information
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