Nombre: tert-butyl (S)-4-(5-((S)-1-aminoethyl)-1-methyl-1H-pyrrolo[3,2-b]pyridin-6-yl)-2-methylpiperazine-1-carboxylate
SMILES:
C[C@H](N)c1nc2ccn(C)c2cc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1Molecular Processing
Molecular formula
C20H31N5O2
Molecular weight
373.5
Exact mass
373.2478
XLogP
3.04
TPSA
76.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
107.93
Supplementary Information
Obteniendo detalles…
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