CSc1ccc(Cc2c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)nn(C)c2C(F)(F)F)cc1
SMILES: CSc1ccc(Cc2c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)nn(C)c2C(F)(F)F)cc1

Molecular Processing

Molecular formula
C27H31F3N2O10S
Molecular weight
632.61
Exact mass
632.1652
XLogP
3.21
TPSA
141.48
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
43
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
141.82

Supplementary Information

Details werden geladen…

An 8 Reaktionen beteiligt