名称: 1-[2-Hydroxy-4-(4-{hydroxy-[3-(2H-tetrazol-5-yl)-phenyl]-methyl}-benzyloxy)-3-isopropyl-phenyl]-ethanone
SMILES:
CC(=O)c1ccc(OCc2ccc(C(O)c3cccc(-c4nn[nH]n4)c3)cc2)c(C(C)C)c1OMolecular Processing
Molecular formula
C26H26N4O4
Molecular weight
458.52
Exact mass
458.1954
XLogP
4.56
TPSA
121.22
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
126.65
Supplementary Information
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