COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(Br)c(C)c(-c3cccnc3)c1)CC2
SMILES: COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(Br)c(C)c(-c3cccnc3)c1)CC2

Molecular Processing

Molecular formula
C23H19BrF3N3O2
Molecular weight
506.32
Exact mass
505.0613
XLogP
6.44
TPSA
54.46
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
120.17

Supplementary Information

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