SMILES:
CCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCCNC(=O)NC(C)CMolecular Processing
Molecular formula
C21H29BrN6O
Molecular weight
461.41
Exact mass
460.1586
XLogP
4.37
TPSA
97.86
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
122.05
Supplementary Information
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