Name: 3-(3-((((3aR,4R,6R,6aS)-6-(4-((2,4-dimethoxybenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)methyl)(methyl)amino)cyclobutyl)propanoic acid
SMILES:
COc1ccc(CNc2ncnc3c2ccn3[C@@H]2C[C@H](CN(C)C3CC(CCC(=O)O)C3)[C@H]3OC(C)(C)O[C@H]32)c(OC)c1Molecular Processing
Molecular formula
C32H43N5O6
Molecular weight
593.73
Exact mass
593.3213
XLogP
4.72
TPSA
120.2
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
43
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.594
Molar refractivity
161.38
Supplementary Information
Details werden geladen…
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