Name: tert-butyl (6R,7S)-7-(3,4-dichlorophenyl)-6-({[2-(trimethylsilyl)ethoxy]carbonyl}amino)-1,4-oxazepane-4-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)OCC[Si](C)(C)C)C1Molecular Processing
Molecular formula
C22H34Cl2N2O5Si
Molecular weight
505.52
Exact mass
504.1614
XLogP
5.73
TPSA
77.1
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
129.39
Supplementary Information
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