CC(C)(C)CC1NC(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1
SMILES: CC(C)(C)CC1NC(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C33H41Cl2N5O2
Molecular weight
610.63
Exact mass
609.2637
XLogP
5.08
TPSA
79.68
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
42
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
166.55

Supplementary Information

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