이름: 8-(3-chloro-4-fluorophenyl)-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
SMILES:
COc1cc(-c2nnc3n2CCCC3(C)c2ccc(F)c(Cl)c2)ccc1-c1cnc(C)o1Molecular Processing
Molecular formula
C24H22ClFN4O2
Molecular weight
452.92
Exact mass
452.1415
XLogP
5.81
TPSA
65.97
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
119.34
Supplementary Information
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