CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN2C(=O)N(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1.Cl
SMILES: CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCN2C(=O)N(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1.Cl

Molecular Processing

Molecular formula
C29H36ClF3N6O4
Molecular weight
625.09
Exact mass
624.2439
XLogP
2.7
TPSA
128.94
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
43
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.483
Molar refractivity
153.95

Supplementary Information

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