Cc1cccc(-c2sc(C)nc2C(=O)N2C(CNC(=O)c3cccc4sc(Cl)nc34)CC3CC32)c1
SMILES: Cc1cccc(-c2sc(C)nc2C(=O)N2C(CNC(=O)c3cccc4sc(Cl)nc34)CC3CC32)c1

Molecular Processing

Molecular formula
C26H23ClN4O2S2
Molecular weight
523.08
Exact mass
522.0951
XLogP
5.72
TPSA
75.19
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
140.46

Supplementary Information

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