Nombre: benzyl (S)-(1-(6-bromo-1-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)carbamate
SMILES:
C[C@H](NC(=O)OCc1ccccc1)c1nc2ccn(C)c2cc1BrMolecular Processing
Molecular formula
C18H18BrN3O2
Molecular weight
388.27
Exact mass
387.0582
XLogP
4.32
TPSA
56.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
96.59
Supplementary Information
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