SMILES:
CC(=O)Nc1ncc2sc(=O)n([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c2n1Molecular Processing
Molecular formula
C18H20N4O9S
Molecular weight
468.44
Exact mass
468.0951
XLogP
0.14
TPSA
165.01
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
107.63
Supplementary Information
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