SMILES:
O=C1NC(=O)c2ccc(I)cc2C1=CNc1ccc(N2CCN(Cc3ccoc3)CC2)cc1Molecular Processing
Molecular formula
C25H23IN4O3
Molecular weight
554.39
Exact mass
554.0815
XLogP
3.93
TPSA
77.82
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
135.87
Supplementary Information
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