SMILES:
CC(=O)N1C2CCC1CC(c1nsc(Nc3ncc(SCCO)cc3Oc3cccnc3C)n1)C2Molecular Processing
Molecular formula
C24H28N6O3S2
Molecular weight
512.66
Exact mass
512.1664
XLogP
4.51
TPSA
113.36
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
135.59
Supplementary Information
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