الاسم: 4-(3-(bromomethyl)phenylthio)-N-(4-morpholinophenyl)pyrimidin-2-amine
SMILES:
BrCc1cccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1Molecular Processing
Molecular formula
C21H21BrN4OS
Molecular weight
457.4
Exact mass
456.0619
XLogP
5.1
TPSA
50.28
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
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
0.238
Molar refractivity
117.98
Supplementary Information
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