C=CCOC(=O)N1CCC[C@@H](OC)[C@@H]1CC(=O)Cn1cnc2cc(I)c(SC)cc2c1=O
SMILES: C=CCOC(=O)N1CCC[C@@H](OC)[C@@H]1CC(=O)Cn1cnc2cc(I)c(SC)cc2c1=O

Molecular Processing

Molecular formula
C22H26IN3O5S
Molecular weight
571.44
Exact mass
571.0638
XLogP
3.48
TPSA
90.73
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
132.2

Supplementary Information

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