Name: [1-(4-amino-2-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid methyl ester
SMILES:
COC(=O)Cc1c(C)nn(Cc2ccc(N)cc2F)c1CMolecular Processing
Molecular formula
C15H18FN3O2
Molecular weight
291.33
Exact mass
291.1383
XLogP
1.99
TPSA
70.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
77.34
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→