Name: (2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dimethylbenzyl)-4-benzylpiperazine
SMILES:
Cc1ccc(C[C@@H]2CN(Cc3ccccc3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1CMolecular Processing
Molecular formula
C29H28F6N2O
Molecular weight
534.54
Exact mass
534.2106
XLogP
6.91
TPSA
23.55
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
132.61
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→