CC(C)(C)NC(=O)c1ccc(C(=O)CCCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1
名称: 1-(p-N-tert-butylaminocarbonylphenyl)-4-(1-trityl-4-imidazolyl)-1-butanone
SMILES: CC(C)(C)NC(=O)c1ccc(C(=O)CCCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

Molecular Processing

Molecular formula
C37H37N3O2
Molecular weight
555.72
Exact mass
555.2886
XLogP
7.46
TPSA
63.99
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
42
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.216
Molar refractivity
167.76

Supplementary Information

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