SMILES:
CC(C)(C)OC(=O)NC1CCCN(c2c(Br)cnc3[nH]cc(N)c23)C1Molecular Processing
Molecular formula
C17H24BrN5O2
Molecular weight
410.32
Exact mass
409.1113
XLogP
3.4
TPSA
96.27
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
102.81
Supplementary Information
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