CC(=O)NCCC(C)(C)CC1NC(C(=O)NCCC(O)CO)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F
SMILES: CC(=O)NCCC(C)(C)CC1NC(C(=O)NCCC(O)CO)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F

Molecular Processing

Molecular formula
C30H36Cl2F2N4O4
Molecular weight
625.54
Exact mass
624.2082
XLogP
3.96
TPSA
134.48
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
42
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
155.98

Supplementary Information

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