SMILES:
CC(=O)N(C)CC(C)Oc1cccc2ncnc(Nc3ccc(O)c(Cl)c3)c12Molecular Processing
Molecular formula
C20H21ClN4O3
Molecular weight
400.87
Exact mass
400.1302
XLogP
3.98
TPSA
87.58
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
109.34
Supplementary Information
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