Name: ethyl 1-(4-chlorophenyl)-5-phenyl-4,5-dihydro-(1H)-pyrazole-3-carboxylate
SMILES:
CCOC(=O)C1=NN(c2ccc(Cl)cc2)C(c2ccccc2)C1Molecular Processing
Molecular formula
C18H17ClN2O2
Molecular weight
328.8
Exact mass
328.0979
XLogP
4.21
TPSA
41.9
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
91.8
Supplementary Information
Details werden geladen…
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