SMILES:
CN1CCC2CN(C/C=C/C(=O)N3CCc4c(sc5ncnc(Nc6ccc(Cl)c(Cl)c6)c45)C3)CC21Molecular Processing
Molecular formula
C26H28Cl2N6OS
Molecular weight
543.52
Exact mass
542.1422
XLogP
4.82
TPSA
64.6
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
36
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
146.39
Supplementary Information
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