SMILES:
COC(=O)CCN(C(=O)c1ccc2sc(CNc3ccc(C(=N)N)cc3)nc2c1)c1ccccn1.Cl.ClMolecular Processing
Molecular formula
C25H26Cl2N6O3S
Molecular weight
561.5
Exact mass
560.1164
XLogP
4.64
TPSA
134.29
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
3
Fraction Csp3
0.16
Molar refractivity
151.45
Supplementary Information
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