الاسم: 2-[4-(1,1-dioxo-1λ6-isothiazolidin-2-yl)phenyl]-1-ethyl-6-isopropoxy-1H-indole-3-carbonitrile
SMILES:
CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(C)C)cc21Molecular Processing
Molecular formula
C23H25N3O3S
Molecular weight
423.54
Exact mass
423.1617
XLogP
4.53
TPSA
75.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
119.28
Supplementary Information
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