Name: 3-(4-propoxyphenyl)-4-(N-propyl-N-(2,2,2-trichloroethoxycarbonyl)amino)-4,5-dihydro-1H-pyrazole
SMILES:
CCCOc1ccc(C2=NNCC2N(CCC)C(=O)OCC(Cl)(Cl)Cl)cc1Molecular Processing
Molecular formula
C18H24Cl3N3O3
Molecular weight
436.77
Exact mass
435.0883
XLogP
4.37
TPSA
63.16
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
109.19
Supplementary Information
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