名称: ethyl 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-carboxylate
SMILES:
CCOC(=O)C1(Oc2cc(F)c(F)c(F)c2)CCCn2c(-c3ccc(-c4cnc(C)o4)c(OC)c3)nnc21Molecular Processing
Molecular formula
C26H23F3N4O5
Molecular weight
528.49
Exact mass
528.1621
XLogP
4.97
TPSA
101.5
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
126.73
Supplementary Information
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