SMILES:
CCOC(=O)c1cccc2nc(N3CC[C@H](NC(=O)c4nc(Cl)c(CC)[nH]4)[C@H](NC4CC4)C3)sc12Molecular Processing
Molecular formula
C24H29ClN6O3S
Molecular weight
517.06
Exact mass
516.171
XLogP
3.54
TPSA
112.24
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
136.58
Supplementary Information
Récupération des détails…
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