Name: tert-butyl cis(±)-3-(4-{[(5-ethyl-4-trifluoromethyl-1H-imidazol-2-yl)carbonyl]amino}-3-ethoxypiperidin-1-yl)benzoate
SMILES:
CCO[C@@H]1CN(c2cccc(C(=O)OC(C)(C)C)c2)CC[C@@H]1NC(=O)c1nc(C(F)(F)F)c(CC)[nH]1Molecular Processing
Molecular formula
C25H33F3N4O4
Molecular weight
510.56
Exact mass
510.2454
XLogP
4.36
TPSA
96.55
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
128.08
Supplementary Information
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