Name: N-(4-trifluoromethylphenyl)-3-(4-chlorophenyl)-4-carbo-t-butoxyamino-4-methyl-4,5-dihydro-1H-pyrazole-1-carboxamide
SMILES:
CC(C)(C)OC(=O)NC1(C)CN(C(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(Cl)cc1Molecular Processing
Molecular formula
C23H24ClF3N4O3
Molecular weight
496.92
Exact mass
496.1489
XLogP
5.89
TPSA
83.03
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
122.93
Supplementary Information
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