Nombre: tert-butyl N-[7-(2-methoxy-4,6-dimethylphenyl)-2-(methylsulfanyl)pyrazolo[1,5-a]pyridin-3-yl]carbamate
SMILES:
COc1cc(C)cc(C)c1-c1cccc2c(NC(=O)OC(C)(C)C)c(SC)nn12Molecular Processing
Molecular formula
C22H27N3O3S
Molecular weight
413.54
Exact mass
413.1773
XLogP
5.7
TPSA
64.86
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
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
0.364
Molar refractivity
118.29
Supplementary Information
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