名称: tert-butyl {(3R)-1-[(1-hydroxycyclohexyl)(2-naphthyl)acetyl]pyrrolidin-3-yl}carbamate
SMILES:
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(c2ccc3ccccc3c2)C2(O)CCCCC2)C1Molecular Processing
Molecular formula
C27H36N2O4
Molecular weight
452.6
Exact mass
452.2675
XLogP
4.74
TPSA
78.87
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
129.08
Supplementary Information
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