SMILES:
O=C(O)C1CCN(c2nccc3nc(NCc4ccccc4Cl)ncc23)CC1Molecular Processing
Molecular formula
C20H20ClN5O2
Molecular weight
397.87
Exact mass
397.1306
XLogP
3.59
TPSA
91.24
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
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
108.68
Supplementary Information
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