Name: 5-(cyclohexylmethyl)-5-[4-(methylthio)phenyl]-5H-imidazo[2,1-a]isoindole
SMILES:
CSc1ccc(C2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1Molecular Processing
Molecular formula
C24H26N2S
Molecular weight
374.55
Exact mass
374.1817
XLogP
6.35
TPSA
17.82
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
113.26
Supplementary Information
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