SMILES:
CC(C)(C)OC(=O)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(Br)cc2)C1Molecular Processing
Molecular formula
C18H23BrN4O3
Molecular weight
423.31
Exact mass
422.0954
XLogP
3.12
TPSA
80.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
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
0.5
Molar refractivity
101.5
Supplementary Information
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