SMILES:
CCN(CC)NC(NC(CC1CCCCC1)C(=O)NC1(C#N)CCN(C)CC1)=S=C=OMolecular Processing
Molecular formula
C22H38N6O2S
Molecular weight
450.65
Exact mass
450.2777
XLogP
1.75
TPSA
100.5
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
125.68
Supplementary Information
Récupération des détails…
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