名称: 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-(3,4,5-trifluorophenoxy)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
SMILES:
COc1cc(-c2nnc3n2CCCC3(C=O)Oc2cc(F)c(F)c(F)c2)ccc1-c1cnc(C)o1Molecular Processing
Molecular formula
C24H19F3N4O4
Molecular weight
484.43
Exact mass
484.1358
XLogP
4.6
TPSA
92.27
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
116.16
Supplementary Information
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