SMILES:
CC(CNC(=O)c1c2ccccc2nc2c1[nH]c1ccccc12)N(C)CMolecular Processing
Molecular formula
C21H22N4O
Molecular weight
346.43
Exact mass
346.1794
XLogP
3.55
TPSA
61.02
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
106.59
Supplementary Information
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