CC(C)CC(C)(N=NC(C)(C)C)SCCOC(=O)CCC(C)(C#N)N=NC(C)(C)C
SMILES: CC(C)CC(C)(N=NC(C)(C)C)SCCOC(=O)CCC(C)(C#N)N=NC(C)(C)C

Molecular Processing

Molecular formula
C22H41N5O2S
Molecular weight
439.67
Exact mass
439.2981
XLogP
6.59
TPSA
99.53
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
30
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
123.75

Supplementary Information

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