名称: 4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzoic acid methyl ester
SMILES:
COC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1Molecular Processing
Molecular formula
C18H16N4O2
Molecular weight
320.35
Exact mass
320.1273
XLogP
3.38
TPSA
77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
91.06
Supplementary Information
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