CCn1c(=O)c2c(nc(N[C@@H]3CCC[C@H]3O)n2Cc2ccc(OC)c(Br)c2)n(CCO)c1=O
SMILES: CCn1c(=O)c2c(nc(N[C@@H]3CCC[C@H]3O)n2Cc2ccc(OC)c(Br)c2)n(CCO)c1=O

Molecular Processing

Molecular formula
C22H28BrN5O5
Molecular weight
522.4
Exact mass
521.1274
XLogP
1.52
TPSA
123.54
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
128.08

Supplementary Information

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