SMILES:
CN(C)CCCSc1cnc(NC(=O)N(C2CCCCC2)C2CCCCC2)s1Molecular Processing
Molecular formula
C21H36N4OS2
Molecular weight
424.68
Exact mass
424.2331
XLogP
5.69
TPSA
48.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
120.61
Supplementary Information
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