SMILES:
CCCCc1nc(Br)c(C=O)n1Cc1ccc(C(=O)OC)cc1Molecular Processing
Molecular formula
C17H19BrN2O3
Molecular weight
379.25
Exact mass
378.0579
XLogP
3.64
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
90.81
Supplementary Information
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