Name: tert-butyl (6R,7R)-7-(3,4-dichlorophenyl)-6-[(methylsulfonyl)carbamoyl]-1,4-oxazepane-4-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NS(C)(=O)=O)C1Molecular Processing
Molecular formula
C18H24Cl2N2O6S
Molecular weight
467.37
Exact mass
466.0732
XLogP
2.99
TPSA
102.01
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
109.44
Supplementary Information
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