الاسم: 1-{3-Amino-4-[3-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxymethyl)-phenylamino]-phenyl}-ethanone
SMILES:
CC(=O)c1ccc(Nc2cccc(COCc3ncnn3C)c2)c(N)c1Molecular Processing
Molecular formula
C19H21N5O2
Molecular weight
351.41
Exact mass
351.1695
XLogP
3.06
TPSA
95.06
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
100.08
Supplementary Information
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