SMILES:
O=S1CCc2nc(N3CCN(c4ccc(Cl)cc4)CC3)nc(NC(CO)c3ccccc3)c21Molecular Processing
Molecular formula
C24H26ClN5O2S
Molecular weight
484.03
Exact mass
483.1496
XLogP
3.27
TPSA
81.59
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
132.78
Supplementary Information
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