Name: tert-butyl (6R,7R)-7-(3,4-dichlorophenyl)-6-{[2-oxo-3-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)pyridin-1(2H)-yl]methyl}-1,4-oxazepane-4-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](Cn2cccc(-c3noc(=O)[nH]3)c2=O)C1Molecular Processing
Molecular formula
C24H26Cl2N4O6
Molecular weight
537.4
Exact mass
536.1229
XLogP
4.12
TPSA
119.66
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
133.27
Supplementary Information
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