SMILES:
CN(C/C=C/C(=O)N1CCCc2c(sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c23)C1)C1CC1Molecular Processing
Molecular formula
C24H25Cl2N5OS
Molecular weight
502.47
Exact mass
501.1157
XLogP
5.67
TPSA
61.36
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
135.69
Supplementary Information
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