CC(C)(C)CC1NC(C(=O)Nc2ccn(CC(C)(C)O)n2)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1
SMILES: CC(C)(C)CC1NC(C(=O)Nc2ccn(CC(C)(C)O)n2)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C30H35Cl2N5O2
Molecular weight
568.55
Exact mass
567.2168
XLogP
5.92
TPSA
102.97
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.433
Molar refractivity
154.87

Supplementary Information

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