이름: (R)-tert-Butyl 1-(5-chloro-3-isobutyramido-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl(methyl)carbamate
SMILES:
CC(C)C(=O)Nc1c[nH]c2ncc(Cl)c(N3CCC[C@@H](N(C)C(=O)OC(C)(C)C)C3)c12Molecular Processing
Molecular formula
C22H32ClN5O3
Molecular weight
449.98
Exact mass
449.2194
XLogP
4.65
TPSA
90.56
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
123.8
Supplementary Information
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