CC(C)(C)[C@H]1CC[C@H](Oc2ccc3nc([C@]4(C)COC(=O)N4)ncc3c2I)CC1
SMILES: CC(C)(C)[C@H]1CC[C@H](Oc2ccc3nc([C@]4(C)COC(=O)N4)ncc3c2I)CC1

Molecular Processing

Molecular formula
C22H28IN3O3
Molecular weight
509.39
Exact mass
509.1175
XLogP
5.17
TPSA
73.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
119.92

Supplementary Information

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