CCC(CC(C)(C)C#N)N1C(=O)C(C)(CC2COC(C)(C)O2)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1
SMILES: CCC(CC(C)(C)C#N)N1C(=O)C(C)(CC2COC(C)(C)O2)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C32H40Cl2N2O3
Molecular weight
571.59
Exact mass
570.2416
XLogP
8.32
TPSA
62.56
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
39
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
155.57

Supplementary Information

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