Name: tert-butyl 4-(4-{6-[(E)-2-(dimethylamino)ethenyl]-5-nitropyridin-3-yl}-1H-pyrazol-1-yl)piperidine-1-carboxylate
SMILES:
CN(C)/C=C/c1ncc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C22H30N6O4
Molecular weight
442.52
Exact mass
442.2329
XLogP
3.96
TPSA
106.63
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
120.91
Supplementary Information
Details werden geladen…
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