SMILES:
CN1C(=O)CCC2(C)c3ccc(Sc4nc(-c5ccccc5)nc5ccccc45)cc3CCC12Molecular Processing
Molecular formula
C29H27N3OS
Molecular weight
465.62
Exact mass
465.1875
XLogP
6.27
TPSA
46.09
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
34
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
0.276
Molar refractivity
137
Supplementary Information
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