Name: 5-phenyl-1H-pyrazole-3-carboxylic acid {2-[4-(2-nitro-phenoxy)-piperidin-1-yl]-2-oxo-ethyl}-amide
SMILES:
O=C(NCC(=O)N1CCC(Oc2ccccc2[N+](=O)[O-])CC1)c1cc(-c2ccccc2)[nH]n1Molecular Processing
Molecular formula
C23H23N5O5
Molecular weight
449.47
Exact mass
449.1699
XLogP
2.78
TPSA
130.46
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
119.68
Supplementary Information
Details werden geladen…
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