CC(=O)Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@]1(C)OC(C)=O
Name: compound
SMILES: CC(=O)Nc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@]1(C)OC(C)=O

Molecular Processing

Molecular formula
C20H23BrN4O8
Molecular weight
527.33
Exact mass
526.0699
XLogP
1.87
TPSA
147.94
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
115.8

Supplementary Information

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