Name: tert-butyl (6R,7R)-6-carbamoyl-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](C(N)=O)C1Molecular Processing
Molecular formula
C17H22Cl2N2O4
Molecular weight
389.28
Exact mass
388.0957
XLogP
3.4
TPSA
81.86
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
95.65
Supplementary Information
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