Name: 1-(1-{3-[5-(4-chlorophenyl)-5H-imidazo[2,1-a]isoindol-5-yl]propanoyl}piperidin-4-yl)ethanone
SMILES:
CC(=O)C1CCN(C(=O)CCC2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1Molecular Processing
Molecular formula
C26H26ClN3O2
Molecular weight
447.97
Exact mass
447.1714
XLogP
4.92
TPSA
55.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
124.51
Supplementary Information
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