الاسم: 6-(5-bromo-2-n-propoxyphenyl)-3-methyl-1-n-propyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
SMILES:
CCCOc1ccc(Br)cc1-c1nc2c(c(C)nn2CCC)c(=O)[nH]1Molecular Processing
Molecular formula
C18H21BrN4O2
Molecular weight
405.3
Exact mass
404.0848
XLogP
4.06
TPSA
72.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
102.1
Supplementary Information
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