Name: tert-butyl[(1S)-1-benzyl-2-oxo-2-{[4-(4-pyridinyl)phenyl]amino}ethyl]carbamate
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccncc2)cc1Molecular Processing
Molecular formula
C25H27N3O3
Molecular weight
417.51
Exact mass
417.2052
XLogP
4.82
TPSA
80.32
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
121.61
Supplementary Information
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