Name: (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-2-(3-(2-chloropyridin-4-yl)phenyl)-5-methylbenzo[d]thiazol-6-yl)ethyl pivalate
SMILES:
Cc1cc2nc(-c3cccc(-c4ccnc(Cl)c4)c3)sc2c(-c2ccc(Cl)cc2)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)CMolecular Processing
Molecular formula
C36H36Cl2N2O3S
Molecular weight
647.67
Exact mass
646.1824
XLogP
10.75
TPSA
61.31
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
44
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.306
Molar refractivity
182.47
Supplementary Information
Details werden geladen…
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