이름: 4-(3-aminophenylthio)-N-(4-morpholinophenyl)pyrimidin-2-amine
SMILES:
Nc1cccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1Molecular Processing
Molecular formula
C20H21N5OS
Molecular weight
379.49
Exact mass
379.1467
XLogP
3.79
TPSA
76.3
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
109.77
Supplementary Information
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