Name: 4-[4-[4-(cis-2,6-dimethylmorpholin-4-yl)phenyl]piperazin-1-yl]benzoic acid
SMILES:
C[C@@H]1CN(c2ccc(N3CCN(c4ccc(C(=O)O)cc4)CC3)cc2)C[C@H](C)O1Molecular Processing
Molecular formula
C23H29N3O3
Molecular weight
395.5
Exact mass
395.2209
XLogP
3.33
TPSA
56.25
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
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
0.435
Molar refractivity
116.49
Supplementary Information
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