Name: (R)-tert-Butyl 3-(4-chlorophenyl)-1-(4-(5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)-1-oxopropan-2-ylcarbamate
SMILES:
COc1cccc(-c2cnc3[nH]ccc3c2N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)OC(C)(C)C)CC2)c1Molecular Processing
Molecular formula
C32H36ClN5O4
Molecular weight
590.12
Exact mass
589.2456
XLogP
5.68
TPSA
99.79
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
42
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
0.344
Molar refractivity
165.19
Supplementary Information
Details werden geladen…
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