CCOCC1COC(=O)N1c1ccc(C(=O)N2CCN(c3nc(Cl)c(Cl)cc3Cl)CC2)c(F)c1
SMILES: CCOCC1COC(=O)N1c1ccc(C(=O)N2CCN(c3nc(Cl)c(Cl)cc3Cl)CC2)c(F)c1

Molecular Processing

Molecular formula
C22H22Cl3FN4O4
Molecular weight
531.8
Exact mass
530.0691
XLogP
4.51
TPSA
75.21
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
127.89

Supplementary Information

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