Name: (R)-tert-Butyl 3-(4-chlorophenyl)-1-(4-(5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)-1-oxopropan-2-ylcarbamate
SMILES:
CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2c(-c3cccc(F)c3)cnc3[nH]ccc23)CC1Molecular Processing
Molecular formula
C31H33ClFN5O3
Molecular weight
578.09
Exact mass
577.2256
XLogP
5.81
TPSA
90.56
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
158.59
Supplementary Information
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