Name: tert-butyl{(3S,5S,6R)-2-[(2-hydroxy-3-methoxy-3-methylbutyl)imino]-6-methyl-5-phenylpiperidin-3-yl}carbamate
SMILES:
COC(C)(C)C(O)CN=C1N[C@H](C)[C@H](c2ccccc2)C[C@@H]1NC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C23H37N3O4
Molecular weight
419.57
Exact mass
419.2784
XLogP
3.23
TPSA
92.18
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.652
Molar refractivity
118.95
Supplementary Information
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