이름: tert-butyl (1S,4S)-5-(2,3-dichlorobenzoyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
SMILES:
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(Cl)c1ClMolecular Processing
Molecular formula
C17H20Cl2N2O3
Molecular weight
371.26
Exact mass
370.0851
XLogP
3.83
TPSA
49.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
92.63
Supplementary Information
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