Name: (R)-tert-Butyl 1-(4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)-3-(4-chlorophenyl)-1-oxopropan-2-ylcarbamate
SMILES:
CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2c(Br)cnc3[nH]ccc23)CC1Molecular Processing
Molecular formula
C25H29BrClN5O3
Molecular weight
562.9
Exact mass
561.1142
XLogP
4.76
TPSA
90.56
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
140.9
Supplementary Information
Details werden geladen…
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