SMILES:
CCCC(NC1CCc2cc(Br)ccc2C1)C(=O)Nc1cn(C(C)(C)CN2CCCC2)cn1Molecular Processing
Molecular formula
C26H38BrN5O
Molecular weight
516.53
Exact mass
515.226
XLogP
4.73
TPSA
62.19
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
137.64
Supplementary Information
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