Name: cis-toluene-4-sulfonic acid 3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-cyclobutylmethyl ester
SMILES:
Cc1ccc(S(=O)(=O)OC[C@H]2C[C@@H](n3cc(I)c4c(N)ncnc43)C2)cc1Molecular Processing
Molecular formula
C18H19IN4O3S
Molecular weight
498.35
Exact mass
498.0223
XLogP
3.28
TPSA
100.1
H-bond donors
1
H-bond acceptors
6
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
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
110.74
Supplementary Information
Details werden geladen…
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