Molecules/[4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
[4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
[4-(1,2,4-triazol-1-yl)phenyl] (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Molecular Identity
[4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
[4-(1,2,4-triazol-1-yl)phenyl] (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
PubChem CID: 168007463
2D Structure
Properties
C26H21N3O6S
Molecular Formula
503.50
Molecular Weight
g/mol
503.1151
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
914
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C2C(=C(C1O2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)S(=O)(=O)OC5=CC=C(C=C5)N6C=NC=N6Isomeric SMILES
SMILES: C1[C@H]([C@@H]2C(=C([C@H]1O2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)S(=O)(=O)OC5=CC=C(C=C5)N6C=NC=N6Synonyms(2)
[4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonateIAT
Data from PubChem (NCBI)
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Molecular Structure
[4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
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Drug Network
Trials and conditions connected to [4-(1,2,4-triazol-1-yl)phenyl] (1~{S},2~{R},4~{S})-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
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