SMILES:
CCOC(=O)c1ccc(N2CCN(c3nnc(Cl)c4ccccc34)CC2)nc1Molecular Processing
Molecular formula
C20H20ClN5O2
Molecular weight
397.87
Exact mass
397.1306
XLogP
3.18
TPSA
71.45
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
109.17
Supplementary Information
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