이름: 3-benzyloxycarbonylamino-3-(1,1-difluoro-2-hydroxyethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)(C(F)(F)CO)C1Molecular Processing
Molecular formula
C19H26F2N2O5
Molecular weight
400.42
Exact mass
400.181
XLogP
2.92
TPSA
88.1
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
96.95
Supplementary Information
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