SMILES:
CCc1cccc2sc(Sc3ccc4c(c3)CCC3N(C)C(=O)CCC43C)nc12Molecular Processing
Molecular formula
C24H26N2OS2
Molecular weight
422.62
Exact mass
422.1487
XLogP
5.83
TPSA
33.2
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
121.03
Supplementary Information
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