Name: 2-[(4-{2-[[3-Chloro-5-(methoxycarbonyl)pyridin-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(C(=O)OC)cc1ClMolecular Processing
Molecular formula
C27H40ClN3O4S2
Molecular weight
570.22
Exact mass
569.2149
XLogP
7.21
TPSA
81.62
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
37
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.63
Molar refractivity
153.16
Supplementary Information
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