名称: N-{(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-2-(3-oxo-4-propylcyclohexyl)acetamide
SMILES:
CCCC1CCC(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(CC)c2)CC1=OMolecular Processing
Molecular formula
C30H40F2N2O3
Molecular weight
514.66
Exact mass
514.3007
XLogP
4.88
TPSA
78.43
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
13
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
140.89
Supplementary Information
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