SMILES:
CC(O)CCCCn1c(=O)c2c(nc(CCl)n2Cc2ccccc2)n(C)c1=OMolecular Processing
Molecular formula
C20H25ClN4O3
Molecular weight
404.9
Exact mass
404.1615
XLogP
2.23
TPSA
82.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
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
0.45
Molar refractivity
109.87
Supplementary Information
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