SMILES:
CC(Cl)OC(=O)N1C2CCC1CC(=NN(C)c1cccc(Br)n1)C2Molecular Processing
Molecular formula
C16H20BrClN4O2
Molecular weight
415.72
Exact mass
414.0458
XLogP
3.98
TPSA
58.03
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
97.45
Supplementary Information
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