Name: benzyl 2-(2-hydroxy-3-(methoxycarbonyl)phenylcarbamoyl)-2-methylpyrrolidine-1-carboxylate
SMILES:
COC(=O)c1cccc(NC(=O)C2(C)CCCN2C(=O)OCc2ccccc2)c1OMolecular Processing
Molecular formula
C22H24N2O6
Molecular weight
412.44
Exact mass
412.1634
XLogP
3.31
TPSA
105.17
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
109.05
Supplementary Information
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