Name: (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(3-(1-methyl-1H-indazol-5-yl)phenyl)benzo[d]thiazol-6-yl)ethyl pivalate
SMILES:
Cc1cc2nc(-c3cccc(-c4ccc5c(cnn5C)c4)c3)sc2c(-c2ccc(Cl)cc2)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)CMolecular Processing
Molecular formula
C39H40ClN3O3S
Molecular weight
666.29
Exact mass
665.2479
XLogP
10.59
TPSA
66.24
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
47
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
193.94
Supplementary Information
Details werden geladen…
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