Nom: N-[(1S)-1-(4-{3-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrrolidin-1-yl)phenyl)-ethyl]cyclopropanecarboxamide
SMILES:
C[C@H](NC(=O)C1CC1)c1ccc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1Molecular Processing
Molecular formula
C25H23F9N2O
Molecular weight
538.45
Exact mass
538.1667
XLogP
7.02
TPSA
32.34
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
116.73
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→