Name: 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILES:
COc1cc(-c2nnc3n2CCCC3(C)C(=O)O)ccc1-c1cnc(C)o1Molecular Processing
Molecular formula
C19H20N4O4
Molecular weight
368.39
Exact mass
368.1485
XLogP
3.05
TPSA
103.27
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
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
0.368
Molar refractivity
96.47
Supplementary Information
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