Name: 5-bromo-3-[4-(3-piperidin-1-yl-propoxy)-phenyl]-1H-pyrrolo[2,3-b]pyridine hydrochloride
SMILES:
Brc1cnc2[nH]cc(-c3ccc(OCCCN4CCCCC4)cc3)c2c1.ClMolecular Processing
Molecular formula
C21H25BrClN3O
Molecular weight
450.81
Exact mass
449.087
XLogP
5.67
TPSA
41.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.381
Molar refractivity
116.88
Supplementary Information
Details werden geladen…
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