SMILES:
O=C(O)c1ccc(CCCC2SCC(=O)N2CC=CC2(O)CCCCC2)cc1Molecular Processing
Molecular formula
C22H29NO4S
Molecular weight
403.54
Exact mass
403.1817
XLogP
3.86
TPSA
77.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
111.47
Supplementary Information
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