SMILES:
CC(=O)C(Cc1cc(-c2ccccc2)nnc1Br)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C19H21BrN2O3
Molecular weight
405.29
Exact mass
404.0736
XLogP
4
TPSA
69.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
98.89
Supplementary Information
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