SMILES:
CN1C(=O)CCC2(C)c3ccc(Sc4nc5c(-c6ccccc6)cccc5s4)cc3CCC12Molecular Processing
Molecular formula
C28H26N2OS2
Molecular weight
470.66
Exact mass
470.1487
XLogP
6.94
TPSA
33.2
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
33
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
137.09
Supplementary Information
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