CC(Oc1nc(Cl)cc2nc(Br)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1
名称: 2-bromo-6-chloro-4-(1-cyclobutylethoxy)-3-((trans-4-methylcyclohexyl)methyl)-3H-imidazo[4,5-c]pyridine
SMILES: CC(Oc1nc(Cl)cc2nc(Br)n(C[C@H]3CC[C@H](C)CC3)c12)C1CCC1

Molecular Processing

Molecular formula
C20H27BrClN3O
Molecular weight
440.81
Exact mass
439.1026
XLogP
6.24
TPSA
39.94
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
108.79

Supplementary Information

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