Name: (5S)-2,2-dimethyl-5-((1S)-3-methyl-1-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}butyl)-1,3-dioxolan-4-one
SMILES:
CC(C)C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[C@@H]1OC(C)(C)OC1=OMolecular Processing
Molecular formula
C20H29N3O4
Molecular weight
375.47
Exact mass
375.2158
XLogP
2.07
TPSA
71.97
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
101.02
Supplementary Information
Details werden geladen…
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