الاسم: rac-N2-(4-{4-amino-1-[1-(2-methoxyethyl)tetrahydro-1H-3-pyrrolyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-5,7-dimethyl-1,3-benzoxazol-2-amine
SMILES:
COCCN1CCC(n2nc(-c3ccc(Nc4nc5cc(C)cc(C)c5o4)cc3)c3c(N)ncnc32)C1Molecular Processing
Molecular formula
C27H30N8O2
Molecular weight
498.59
Exact mass
498.2492
XLogP
4.47
TPSA
120.15
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
37
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
143.91
Supplementary Information
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