CC(C)C(CNC(=O)OC(C)(C)C)Nc1nc(Cl)ncc1Br
SMILES: CC(C)C(CNC(=O)OC(C)(C)C)Nc1nc(Cl)ncc1Br

Molecular Processing

Molecular formula
C14H22BrClN4O2
Molecular weight
393.71
Exact mass
392.0615
XLogP
3.85
TPSA
76.14
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
91.23

Supplementary Information

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