SMILES:
c1ccc(CCC2CN(C3=Nc4ccccc4Nc4sc(C5CCCC5)nc43)CCN2)cc1Molecular Processing
Molecular formula
C27H31N5S
Molecular weight
457.65
Exact mass
457.23
XLogP
5.84
TPSA
52.55
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
33
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
137.37
Supplementary Information
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