CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(CN2CCNC(=O)C2)CC1
SMILES: CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(CN2CCNC(=O)C2)CC1

Molecular Processing

Molecular formula
C35H36Cl2F3N5O3
Molecular weight
702.6
Exact mass
701.2147
XLogP
7.22
TPSA
77.48
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
48
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
178.52

Supplementary Information

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