Name: 4-{2-[6-(4-fluorobenzenesulfonyloxy)-benzothiazol-2-ylcarbamoyl]ethyl}piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(CCC(=O)Nc2nc3ccc(OS(=O)(=O)c4ccc(F)cc4)cc3s2)CC1Molecular Processing
Molecular formula
C26H30FN3O6S2
Molecular weight
563.67
Exact mass
563.156
XLogP
5.57
TPSA
114.9
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
142.23
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→