名称: methyl 2-(4-{1-[(tert-butoxycarbonyl)amino]cyclobutyl}phenyl)-8-hydroxy-3-phenylimidazo[1,2-b]pyridazine-6-carboxylate
SMILES:
COC(=O)c1cc(O)c2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)n2n1Molecular Processing
Molecular formula
C29H30N4O5
Molecular weight
514.58
Exact mass
514.2216
XLogP
5.46
TPSA
115.05
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
141.76
Supplementary Information
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