CCN(CC)CCC1C(=O)C2=NC(c3ccc(SC)cc3OC)=NC2=C2C=NC(C)(C)C(=O)C21.Cl.Cl
SMILES: CCN(CC)CCC1C(=O)C2=NC(c3ccc(SC)cc3OC)=NC2=C2C=NC(C)(C)C(=O)C21.Cl.Cl

Molecular Processing

Molecular formula
C26H34Cl2N4O3S
Molecular weight
553.56
Exact mass
552.1729
XLogP
4.7
TPSA
83.69
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
1
Saturated rings
0
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
3
Fraction Csp3
0.5
Molar refractivity
152.24

Supplementary Information

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