Name: 6-methyl-N1-(3-(methylthio)phenyl)-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)isoquinoline-1,5-diamine
SMILES:
CSc1cccc(Nc2nccc3c(Nc4ncccc4-c4ccncn4)c(C)ccc23)c1Molecular Processing
Molecular formula
C26H22N6S
Molecular weight
450.57
Exact mass
450.1627
XLogP
6.6
TPSA
75.62
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
136.53
Supplementary Information
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