الاسم: Ethyl 2-[1-[4-(2,3-dihydrobenzo[b][1,4]dioxin-6-carboxamido)benzyl]-1H-indazol-3-yl]acetate
SMILES:
CCOC(=O)Cc1nn(Cc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)c2ccccc12Molecular Processing
Molecular formula
C27H25N3O5
Molecular weight
471.51
Exact mass
471.1794
XLogP
4.21
TPSA
91.68
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
131
Supplementary Information
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