Name: (2R)-1-[3,5-bis(trifluoromethyl)benzoyl]-2-(3,4-dimethylbenzyl)-4-[4-((3S)-3-ethoxycarbonylmorpholino)-2-butynyl]piperazine
SMILES:
CCOC(=O)[C@@H]1COCCN1CC#CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccc(C)c(C)c2)C1Molecular Processing
Molecular formula
C33H37F6N3O4
Molecular weight
653.66
Exact mass
653.2688
XLogP
4.98
TPSA
62.32
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
46
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.515
Molar refractivity
157.92
Supplementary Information
Details werden geladen…
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