CC(C)(C)OC(=O)NC1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4(C(F)(F)F)CC4)c23)C1
SMILES: CC(C)(C)OC(=O)NC1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)C4(C(F)(F)F)CC4)c23)C1

Molecular Processing

Molecular formula
C22H27BrF3N5O3
Molecular weight
546.39
Exact mass
545.1249
XLogP
5.1
TPSA
99.35
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
124.75

Supplementary Information

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