Name: tert-butyl (6R,7R)-6-[(3-cyano-2-oxopyridin-1(2H)-yl)methyl]-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](Cn2cccc(C#N)c2=O)C1Molecular Processing
Molecular formula
C23H25Cl2N3O4
Molecular weight
478.38
Exact mass
477.1222
XLogP
4.65
TPSA
84.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
121.87
Supplementary Information
Details werden geladen…
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