Name: [3-(2-Benzyl-1,1-dioxo-1,2-dihydro-1λ6-benzo[e][1,2,3]thiadiazin-4-yl)-5-fluoro-2-methyl-indol-1-yl]-acetic acid tert-butyl ester
SMILES:
Cc1c(C2=NN(Cc3ccccc3)S(=O)(=O)c3ccccc32)c2cc(F)ccc2n1CC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C29H28FN3O4S
Molecular weight
533.63
Exact mass
533.1785
XLogP
5.39
TPSA
80.97
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
143.73
Supplementary Information
Details werden geladen…
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