Name: toluene-4-sulfonic acid trans-3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-cyclobutylmethyl ester
SMILES:
Cc1ccc(S(=O)(=O)OC[C@H]2C[C@H](n3cc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)ncnc43)C2)cc1Molecular Processing
Molecular formula
C33H29N5O3S
Molecular weight
575.69
Exact mass
575.1991
XLogP
6.56
TPSA
112.99
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
42
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
164.19
Supplementary Information
Details werden geladen…
An 11 Reaktionen beteiligt→