الاسم: 2-(1-benzyloxy-carbonyl-piperidin-4-yl)-5,7-dichloro-pyrazolo[1,5-a]-pyrimidine
SMILES:
O=C=C1CC(c2cc3nc(Cl)cc(Cl)n3n2)CCN1OCc1ccccc1Molecular Processing
Molecular formula
C19H16Cl2N4O2
Molecular weight
403.27
Exact mass
402.065
XLogP
4.06
TPSA
59.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
102.13
Supplementary Information
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