Name: (1R,2S,3R,5S)-3-(6-{[Bis-(4-methoxy-phenyl)-methyl]-amino}-2-chloro-purin-9-yl)-5-(4-methyl-pyrazol-1-yl)-cyclopentane-1,2-diol
SMILES:
COc1ccc(C(Nc2nc(Cl)nc3c2ncn3[C@@H]2C[C@H](n3cc(C)cn3)[C@@H](O)[C@H]2O)c2ccc(OC)cc2)cc1Molecular Processing
Molecular formula
C29H30ClN7O4
Molecular weight
576.06
Exact mass
575.2048
XLogP
4.11
TPSA
132.37
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
41
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
153.46
Supplementary Information
Details werden geladen…
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