SMILES:
CC1(C)CC(c2c[nH]c3c(C(N)=O)cc(-c4ccsc4)cc23)CCS1(=O)=OMolecular Processing
Molecular formula
C20H22N2O3S2
Molecular weight
402.54
Exact mass
402.1072
XLogP
4.07
TPSA
93.02
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
109.97
Supplementary Information
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