Name: 4-[4-[4-(cis-2,6-dimethylmorpholin-4-yl)phenyl]piperazin-1-yl]benzoic acid ethyl ester
SMILES:
CCOC(=O)c1ccc(N2CCN(c3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)CC2)cc1Molecular Processing
Molecular formula
C25H33N3O3
Molecular weight
423.56
Exact mass
423.2522
XLogP
3.8
TPSA
45.25
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
125.49
Supplementary Information
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