Cc1ccc(S(=O)(=O)n2cc(I)c3cc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cnc32)cc1
名称: Intermediate 66R
SMILES: Cc1ccc(S(=O)(=O)n2cc(I)c3cc(-c4cnc(N5CCN(C(=O)OC(C)(C)C)CC5)c(F)c4)cnc32)cc1

Molecular Processing

Molecular formula
C28H29FIN5O4S
Molecular weight
677.54
Exact mass
677.0969
XLogP
5.44
TPSA
97.63
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
159.42

Supplementary Information

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