Name: {3-[2-(4-Methoxy-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:
COc1ccc(CN2N=C(c3c(C)n(CC(=O)OC(C)(C)C)c4ccc(F)cc34)c3ccccc3S2(=O)=O)cc1Molecular Processing
Molecular formula
C30H30FN3O5S
Molecular weight
563.65
Exact mass
563.189
XLogP
5.4
TPSA
90.2
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
150.28
Supplementary Information
Details werden geladen…
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