이름: 5-cyclopropyl-6-(tetrahydro-pyran-4-ylmethoxy)-pyridine-2-carboxylic acid [cyclopropyl-(5-methyl-[1,2,4]oxadiazol-3-yl)-methyl]-amide
SMILES:
Cc1nc(C(NC(=O)c2ccc(C3CC3)c(OCC3CCOCC3)n2)C2CC2)no1Molecular Processing
Molecular formula
C22H28N4O4
Molecular weight
412.49
Exact mass
412.2111
XLogP
3.34
TPSA
99.37
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
107.22
Supplementary Information
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