SMILES:
CC1CCC(N(C(=O)Nc2ncc(SCC(=O)O)s2)C2CCC2)CC1Molecular Processing
Molecular formula
C17H25N3O3S2
Molecular weight
383.54
Exact mass
383.1337
XLogP
4.28
TPSA
82.53
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
25
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
0.706
Molar refractivity
100.39
Supplementary Information
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