الاسم: 2-[4-(4-amino-7-(3-tetrahydrofuryl)-7H-pyrrolo[2,3-d)pyrimidin-5-yl)phenoxy]benzaldehyde
SMILES:
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3C=O)cc1)cn2C1CCOC1Molecular Processing
Molecular formula
C23H20N4O3
Molecular weight
400.44
Exact mass
400.1535
XLogP
4.25
TPSA
92.26
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
113.75
Supplementary Information
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