الاسم: 4-{3-[7-(2,2-Dimethyl-propionyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)CC1Molecular Processing
Molecular formula
C26H33N5O3
Molecular weight
463.58
Exact mass
463.2583
XLogP
4.91
TPSA
91.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
133.13
Supplementary Information
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