SMILES:
COCC(C)N1CCN(c2ccc(NC=C3C(=O)NC(=O)c4ccc(I)cc43)cc2)CC1Molecular Processing
Molecular formula
C24H27IN4O3
Molecular weight
546.41
Exact mass
546.1128
XLogP
3.17
TPSA
73.91
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
134.8
Supplementary Information
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