SMILES:
O=C1NC(=O)c2ccc(I)cc2C1=CNc1ccc(N2CCN(C3CCC3)CC2)cc1Molecular Processing
Molecular formula
C24H25IN4O2
Molecular weight
528.39
Exact mass
528.1022
XLogP
3.69
TPSA
64.68
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
131.1
Supplementary Information
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