الاسم: 4-[7-(2-Chloro-4,6-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]heptan-4-ol
SMILES:
CCCC(O)(CCC)c1c2c(nn1C)N(c1c(C)cc(C)cc1Cl)CCC2Molecular Processing
Molecular formula
C22H32ClN3O
Molecular weight
389.97
Exact mass
389.2234
XLogP
5.56
TPSA
41.29
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
113.17
Supplementary Information
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