Name: 4-({6-[4-(3-imidazol-1-ylpropylamino)-benzenesulfonyloxy]benzothiazol-2-ylcarbamoyl}methyl)piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2nc3ccc(OS(=O)(=O)c4ccc(NCCCn5ccnc5)cc4)cc3s2)CC1Molecular Processing
Molecular formula
C31H38N6O6S2
Molecular weight
654.82
Exact mass
654.2294
XLogP
5.74
TPSA
144.75
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
11
Heavy atoms
45
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
172.99
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→