Name: 2,6-bis-(1,1-dimethylethyl)-4-{[[4-(4-nitrophenyl)-1-piperazinyl]-carbonyl]-methyl}-phenol
SMILES:
CC(C)(C)c1cc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(C(C)(C)C)c1OMolecular Processing
Molecular formula
C26H35N3O4
Molecular weight
453.58
Exact mass
453.2628
XLogP
4.79
TPSA
86.92
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
131.1
Supplementary Information
Details werden geladen…
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