Name: methyl 4-(2-cyclohexyl-1H-imidazol-1-yl)-2-methoxy-5-nitrobenzoate
SMILES:
COC(=O)c1cc([N+](=O)[O-])c(-n2ccnc2C2CCCCC2)cc1OCMolecular Processing
Molecular formula
C18H21N3O5
Molecular weight
359.38
Exact mass
359.1481
XLogP
3.62
TPSA
96.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
93.94
Supplementary Information
Details werden geladen…
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