SMILES:
COc1ccc2ncc(=O)n(CCN3CCC(NCc4nc5c(cc4Cl)SCC(=O)N5C)CC3)c2c1.ClMolecular Processing
Molecular formula
C25H30Cl2N6O3S
Molecular weight
565.53
Exact mass
564.1477
XLogP
3.2
TPSA
92.59
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
2
Fraction Csp3
0.44
Molar refractivity
149.49
Supplementary Information
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