이름: pyrazolo[1,5-a]pyrimidine-3-carboxylic acid {3-(5-chloro-2-difluoromethoxy-phenyl)-1-[2-oxo-2-(4-oxo-piperidin-1-yl)-ethyl]-1H-pyrazol-4-yl}-amide
SMILES:
O=C1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1Molecular Processing
Molecular formula
C24H20ClF2N7O4
Molecular weight
543.92
Exact mass
543.1233
XLogP
3.29
TPSA
123.72
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
131.07
Supplementary Information
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