SMILES:
O=C(/C=C/CN1CCCOCC1)N1CCc2c(sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c23)C1Molecular Processing
Molecular formula
C24H25Cl2N5O2S
Molecular weight
518.47
Exact mass
517.1106
XLogP
4.9
TPSA
70.59
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
137.3
Supplementary Information
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