CN1C(=O)CC(C)(c2cccc(Br)c2)NC1=NC(=O)OC(C)(C)C
SMILES: CN1C(=O)CC(C)(c2cccc(Br)c2)NC1=NC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C17H22BrN3O3
Molecular weight
396.29
Exact mass
395.0845
XLogP
3.41
TPSA
71
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
95.69

Supplementary Information

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