SMILES:
COC(=O)CSc1cnc(NC(=O)N(C2CCCCC2)C2CCOCC2)s1Molecular Processing
Molecular formula
C18H27N3O4S2
Molecular weight
413.57
Exact mass
413.1443
XLogP
3.75
TPSA
80.76
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.722
Molar refractivity
106.43
Supplementary Information
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