Название: 4-(4-bromo-2-fluorobenzyl)-3-n-butyl-1-[2-chloro-5-(propionylamino)phenyl]-1H-pyrazole-5-carbonitrile
SMILES:
CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(C#N)c1Cc1ccc(Br)cc1FMolecular Processing
Molecular formula
C24H23BrClFN4O
Molecular weight
517.83
Exact mass
516.0728
XLogP
6.58
TPSA
70.71
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
127.73
Supplementary Information
Загрузка подробностей…
Участвует в 2 реакциях→