SMILES:
COC(=O)C1CCC(C(=O)CSC2NC(=O)C2NC(=O)Cc2ccccc2)O1Molecular Processing
Molecular formula
C19H22N2O6S
Molecular weight
406.46
Exact mass
406.1199
XLogP
0.19
TPSA
110.8
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
101.38
Supplementary Information
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