O=C(Nc1nc(CSc2ccccn2)cs1)N(C1CCCCC1)C1CCCCC1
SMILES: O=C(Nc1nc(CSc2ccccn2)cs1)N(C1CCCCC1)C1CCCCC1

Molecular Processing

Molecular formula
C22H30N4OS2
Molecular weight
430.64
Exact mass
430.1861
XLogP
6.33
TPSA
58.12
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
120.52

Supplementary Information

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