SMILES:
COc1cc2c(cc1N)CCN(CC(=O)N1CCN(C)CC1)CC2Molecular Processing
Molecular formula
C18H28N4O2
Molecular weight
332.45
Exact mass
332.2212
XLogP
0.45
TPSA
62.04
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
95.33
Supplementary Information
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