SMILES:
COCC1COC(=O)N1c1ccc(C(=O)N2CCN(c3nc(Cl)c(Cl)cc3Cl)CC2)cc1Molecular Processing
Molecular formula
C21H21Cl3N4O4
Molecular weight
499.78
Exact mass
498.0628
XLogP
3.98
TPSA
75.21
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
123.32
Supplementary Information
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