Name: (2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dimethylbenzyl)-4-[[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILES:
Cc1ccc(C[C@@H]2CN(Cc3cnn(CCO)c3)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1CMolecular Processing
Molecular formula
C28H30F6N4O2
Molecular weight
568.56
Exact mass
568.2273
XLogP
5.1
TPSA
61.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
40
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
0.429
Molar refractivity
135.48
Supplementary Information
Details werden geladen…
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