CC(C)NC(=O)CN1CCN(C(=O)c2cccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)c2)CC1
SMILES: CC(C)NC(=O)CN1CCN(C(=O)c2cccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)c2)CC1

Molecular Processing

Molecular formula
C31H34ClF3N6O2
Molecular weight
615.1
Exact mass
614.2384
XLogP
5.14
TPSA
80.81
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
161.29

Supplementary Information

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