O=C(NC1(CBr)CC1)NC(Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1
SMILES: O=C(NC1(CBr)CC1)NC(Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1

Molecular Processing

Molecular formula
C27H23BrF6N2O2
Molecular weight
601.39
Exact mass
600.0847
XLogP
6.91
TPSA
50.36
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
132.73

Supplementary Information

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