CC1(C)CCC2(CC1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@H](c1cccc(Cl)c1F)[C@@]21C(=O)Nc2cc(Cl)ccc21
Name: compound
SMILES: CC1(C)CCC2(CC1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@H](c1cccc(Cl)c1F)[C@@]21C(=O)Nc2cc(Cl)ccc21

Molecular Processing

Molecular formula
C39H35Cl2FN2O3
Molecular weight
669.62
Exact mass
668.2009
XLogP
9.17
TPSA
58.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
47
Rings
8
Aromatic rings
4
Saturated rings
3
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
180.98

Supplementary Information

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