Name: N-(4-trifluoromethylphenyl)-3-(4-propoxyphenyl)-4-(N-propylamino)-4,5,-dihydro-1H-pyrazole-1-carboxamide
SMILES:
CCCNC1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)N=C1c1ccc(OCCC)cc1Molecular Processing
Molecular formula
C23H27F3N4O2
Molecular weight
448.49
Exact mass
448.2086
XLogP
5.11
TPSA
65.96
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
118.02
Supplementary Information
Details werden geladen…
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