Name: 4-{3-(5-Chloro-2-difluoromethoxyphenyl)-4-[(pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl}piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1Molecular Processing
Molecular formula
C27H28ClF2N7O4
Molecular weight
588.01
Exact mass
587.1859
XLogP
5.67
TPSA
115.88
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
41
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
0.37
Molar refractivity
146.32
Supplementary Information
Details werden geladen…
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