Name: 2-(2-chlorobenzyl)-3-(2-methylsulfanyl-pyrimidin-4-yl)-3-oxo-propionic acid tert-butyl ester
SMILES:
CSc1nccc(C(=O)C(Cc2ccccc2Cl)C(=O)OC(C)(C)C)n1Molecular Processing
Molecular formula
C19H21ClN2O3S
Molecular weight
392.91
Exact mass
392.0961
XLogP
4.24
TPSA
69.15
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
102.63
Supplementary Information
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