Name: Compound 21
SMILES:
COc1nc(N2CCOCC2)nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1IMolecular Processing
Molecular formula
C19H30IN5O4
Molecular weight
519.38
Exact mass
519.1343
XLogP
2.74
TPSA
89.05
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.737
Molar refractivity
118.78
Supplementary Information
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