SMILES:
CCOC(=O)CN(CCCN1CCOCC1)Cc1cc(Br)cnc1NMolecular Processing
Molecular formula
C17H27BrN4O3
Molecular weight
415.33
Exact mass
414.1267
XLogP
1.51
TPSA
80.92
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
100.14
Supplementary Information
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