CSc1cccc(C(=O)c2sc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N)c1
SMILES: CSc1cccc(C(=O)c2sc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N)c1

Molecular Processing

Molecular formula
C22H25N5OS2
Molecular weight
439.61
Exact mass
439.1501
XLogP
4.17
TPSA
74.49
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
127.62

Supplementary Information

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