SMILES:
CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCOC(C)CMolecular Processing
Molecular formula
C19H25BrN4O2
Molecular weight
421.34
Exact mass
420.1161
XLogP
4.28
TPSA
75.19
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
108.18
Supplementary Information
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