Name: Ethyl 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILES:
CCOC(=O)C1CCCn2c(-c3ccc(-c4cnc(C)o4)c(OC)c3)nnc21Molecular Processing
Molecular formula
C20H22N4O4
Molecular weight
382.42
Exact mass
382.1641
XLogP
3.36
TPSA
92.27
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
100.85
Supplementary Information
Details werden geladen…
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