SMILES:
C[C@H]1CC[C@H](N(C(=O)Nc2ncc(SCC(=O)O)s2)C2CCCCCC2)CC1Molecular Processing
Molecular formula
C20H31N3O3S2
Molecular weight
425.62
Exact mass
425.1807
XLogP
5.46
TPSA
82.53
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
114.24
Supplementary Information
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