SMILES:
COc1ccc(C2COCCO2)c2sc(NC(=O)N(C)C3CCC(O)CC3)nc12Molecular Processing
Molecular formula
C20H27N3O5S
Molecular weight
421.52
Exact mass
421.1671
XLogP
3.16
TPSA
93.15
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
110.73
Supplementary Information
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