이름: 1-(4-chloro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid [(S)-1-(3-trifluoromethyl-phenyl)-but-3-enyl]-amide
SMILES:
C=CC[C@H](NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C22H19ClF3N3O
Molecular weight
433.86
Exact mass
433.1169
XLogP
5.9
TPSA
46.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
109.78
Supplementary Information
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