名称: (3-[3-(benzyloxy)-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-(3,4-difluorophenoxy)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl}propan-2-ol
SMILES:
Cc1ncc(-c2ccc(-c3nnc4n3CCCC4(CC(C)O)Oc3ccc(F)c(F)c3)cc2OCc2ccccc2)o1Molecular Processing
Molecular formula
C32H30F2N4O4
Molecular weight
572.61
Exact mass
572.2235
XLogP
6.6
TPSA
95.43
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
42
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.281
Molar refractivity
150.66
Supplementary Information
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