SMILES:
N#Cc1ccc2[nH]cc(C3=CCN(CC4COc5cccnc5O4)CC3)c2c1Molecular Processing
Molecular formula
C22H20N4O2
Molecular weight
372.43
Exact mass
372.1586
XLogP
3.36
TPSA
74.17
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
106.2
Supplementary Information
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