SMILES:
CC(C)S(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4csc(C=O)c4)cc23)CC1Molecular Processing
Molecular formula
C22H25N3O4S2
Molecular weight
459.59
Exact mass
459.1286
XLogP
3.73
TPSA
113.33
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
123.12
Supplementary Information
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