Name: 7-Phenyl-isoquinoline-5-sulfonic acid (2-amino-ethyl)-amide carbamic acid t-butyl ester
SMILES:
CC(C)(C)OC(N)=O.NCCNS(=O)(=O)c1cc(-c2ccccc2)cc2cnccc12Molecular Processing
Molecular formula
C22H28N4O4S
Molecular weight
444.56
Exact mass
444.1831
XLogP
3.02
TPSA
137.4
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.273
Molar refractivity
121.84
Supplementary Information
Details werden geladen…
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