Name: (2R)-4-benzyl-1-[3,5-bis(trifluoromethyl)-benzoyl]-2-[3-[(2-methoxyethoxy)methoxy]-4-methylbenzyl]-piperazine
SMILES:
COCCOCOc1cc(C[C@@H]2CN(Cc3ccccc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1CMolecular Processing
Molecular formula
C32H34F6N2O4
Molecular weight
624.62
Exact mass
624.2423
XLogP
6.6
TPSA
51.24
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
44
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.406
Molar refractivity
151.2
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→