Name: 2-[(4-{2-[(5-bromopyrimidin-2-yl)(heptyl)amino]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester
SMILES:
CCCCCCCN(CCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1)c1ncc(Br)cn1Molecular Processing
Molecular formula
C24H37BrN4O2S2
Molecular weight
557.62
Exact mass
556.1541
XLogP
6.93
TPSA
68.21
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
142.3
Supplementary Information
Details werden geladen…
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