COc1cccc(-c2nccn2-c2c(C(C)C)cc(Br)cc2C(C)C)c1
SMILES: COc1cccc(-c2nccn2-c2c(C(C)C)cc(Br)cc2C(C)C)c1

Molecular Processing

Molecular formula
C22H25BrN2O
Molecular weight
413.36
Exact mass
412.115
XLogP
6.56
TPSA
27.05
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
111.43

Supplementary Information

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