SMILES:
CCCCc1cn(C(C)(C)C)sc1=NC(=O)C1CCC(C)(C(=O)O)C1(C)CMolecular Processing
Molecular formula
C21H34N2O3S
Molecular weight
394.58
Exact mass
394.229
XLogP
4.6
TPSA
71.66
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.762
Molar refractivity
108.73
Supplementary Information
Details werden geladen…
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