CC(C)(C)OC(=O)NC1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccc(C(F)(F)F)c4)c23)C1
SMILES: CC(C)(C)OC(=O)NC1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccc(C(F)(F)F)c4)c23)C1

Molecular Processing

Molecular formula
C25H27BrF3N5O3
Molecular weight
582.42
Exact mass
581.1249
XLogP
6.09
TPSA
99.35
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
137.8

Supplementary Information

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