Name: 4-{[6-(4-isobutylaminobenzenesulfonyloxy)benzo-thiazol-2-ylcarbamoyl]methyl}piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)CNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)CC4CCN(C(=O)OC(C)(C)C)CC4)sc3c2)cc1Molecular Processing
Molecular formula
C29H38N4O6S2
Molecular weight
602.78
Exact mass
602.2233
XLogP
6.11
TPSA
126.93
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
41
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
0.483
Molar refractivity
160.98
Supplementary Information
Details werden geladen…
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