SMILES:
CC(=O)OC(C)CCCCn1c(=O)c2c(nc(CCl)n2Cc2ccccc2)n(C)c1=OMolecular Processing
Molecular formula
C22H27ClN4O4
Molecular weight
446.94
Exact mass
446.1721
XLogP
2.81
TPSA
88.12
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
119.41
Supplementary Information
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