Name: (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-2-(5′-methoxy-2,3′-bipyridin-4-yl)-5-methylbenzo[d]thiazol-6-yl)ethyl pivalate
SMILES:
COc1cncc(-c2cc(-c3nc4cc(C)c([C@@H](COC(=O)C(C)(C)C)OC(C)(C)C)c(-c5ccc(Cl)cc5)c4s3)ccn2)c1Molecular Processing
Molecular formula
C36H38ClN3O4S
Molecular weight
644.24
Exact mass
643.2272
XLogP
9.5
TPSA
83.43
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
45
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
181.81
Supplementary Information
Details werden geladen…
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