Name: 2-trimethylsilylethyl (2R,4R)-3-{3-{2-[4-tert-butoxycarbonyl-2-(4-dimethylaminophenyl)-3thiazolidinyl]-2-oxoethyl}ureido}benzoate
SMILES:
CN(C)c1ccc([C@H]2SC[C@@H](C(=O)OC(C)(C)C)N2C(=O)CNC(=O)Nc2cccc(C(=O)OCC[Si](C)(C)C)c2)cc1Molecular Processing
Molecular formula
C31H44N4O6SSi
Molecular weight
628.87
Exact mass
628.2751
XLogP
5.35
TPSA
117.28
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
43
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.484
Molar refractivity
174.35
Supplementary Information
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