Name: [1-[(tert-butoxy)carbonyl]piperidin-4-yl]methyl 1-(2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[pyrazolo[1,5-a]pyrimidine-3-amido]-1H-pyrazol-1-yl]acetyl)piperidine-4-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(COC(=O)C2CCN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)CC2)CC1Molecular Processing
Molecular formula
C36H41ClF2N8O7
Molecular weight
771.22
Exact mass
770.2755
XLogP
5.53
TPSA
162.49
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
54
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.472
Molar refractivity
191.04
Supplementary Information
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