이름: (S)-1-(6-(2-(benzyloxy)pyridin-4-yl)-1-methyl-1H-pyrrolo[3,2-b]pyridin-5-yl)ethanamine hydrochloride
SMILES:
C[C@H](N)c1nc2ccn(C)c2cc1-c1ccnc(OCc2ccccc2)c1.ClMolecular Processing
Molecular formula
C22H23ClN4O
Molecular weight
394.91
Exact mass
394.156
XLogP
4.66
TPSA
65.96
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.182
Molar refractivity
114.57
Supplementary Information
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