Название: 1-(2,4,6-trichlorophenyl)-3-isopropyl-6-(4-aminobenzyl)pyrazolo[3,4-d]pyrimidin-4-one
SMILES:
CC(C)c1[nH]n(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(N)cc3)nc(=O)c1-2Molecular Processing
Molecular formula
C21H18Cl3N5O
Molecular weight
462.77
Exact mass
461.0577
XLogP
5.32
TPSA
89.59
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
121.38
Supplementary Information
Загрузка подробностей…
Участвует в 11 реакциях→