Name: 6-amino-4-[3-chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-phenylamino]-quinoline-3-carbonitrile
SMILES:
Cn1ccnc1Sc1ccc(Nc2c(C#N)cnc3ccc(N)cc23)cc1ClMolecular Processing
Molecular formula
C20H15ClN6S
Molecular weight
406.9
Exact mass
406.0767
XLogP
4.97
TPSA
92.55
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
112.94
Supplementary Information
Details werden geladen…
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