O=C(c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1)N1CCOCC1
SMILES: O=C(c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1)N1CCOCC1

Molecular Processing

Molecular formula
C18H19BrN2O5
Molecular weight
423.26
Exact mass
422.0477
XLogP
1.86
TPSA
72.22
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
99.94

Supplementary Information

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