CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCSc3ccccn3)CC2)n1
SMILES: CC(C)(C)c1nc(C2CCC2)cc(N2CCN(CCCSc3ccccn3)CC2)n1

Molecular Processing

Molecular formula
C24H35N5S
Molecular weight
425.65
Exact mass
425.2613
XLogP
4.74
TPSA
45.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
125.56

Supplementary Information

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