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OQVSLOQDSDHTEY-UHFFFAOYSA-N

C23H16N4O4S2 — CID 86679910

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-4-ylbenzotriazole
SMILESc1cc(-n2nc3c(-c4scc5c4OCCO5)ccc(-c4scc5c4OCCO5)c3n2)ccn1
InChIInChI=1S/C23H16N4O4S2/c1-2-15(23-21-17(12-33-23)29-8-10-31-21)19-18(25-27(26-19)13-3-5-24-6-4-13)14(1)22-20-16(11-32-22)28-7-9-30-20/h1-6,11-12H,7-10H2
InChIKeyOQVSLOQDSDHTEY-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.81
Rot. Bonds3

About OQVSLOQDSDHTEY-UHFFFAOYSA-N

OQVSLOQDSDHTEY-UHFFFAOYSA-N (PubChem CID 86679910) has the molecular formula C23H16N4O4S2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 4,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-4-ylbenzotriazole.

Molecular Properties

Compound NameOQVSLOQDSDHTEY-UHFFFAOYSA-N
PubChem CID86679910
Molecular FormulaC23H16N4O4S2
Molecular Weight476.54 g/mol
Exact Mass476.06
IUPAC Name4,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-4-ylbenzotriazole
SMILESc1cc(-n2nc3c(-c4scc5c4OCCO5)ccc(-c4scc5c4OCCO5)c3n2)ccn1
InChIInChI=1S/C23H16N4O4S2/c1-2-15(23-21-17(12-33-23)29-8-10-31-21)19-18(25-27(26-19)13-3-5-24-6-4-13)14(1)22-20-16(11-32-22)28-7-9-30-20/h1-6,11-12H,7-10H2
InChIKeyOQVSLOQDSDHTEY-UHFFFAOYSA-N
XLogP4.81
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of OQVSLOQDSDHTEY-UHFFFAOYSA-N?
The IUPAC name of OQVSLOQDSDHTEY-UHFFFAOYSA-N (CID 86679910) is 4,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-pyridin-4-ylbenzotriazole.
What is the SMILES notation for OQVSLOQDSDHTEY-UHFFFAOYSA-N?
The canonical SMILES for OQVSLOQDSDHTEY-UHFFFAOYSA-N is c1cc(-n2nc3c(-c4scc5c4OCCO5)ccc(-c4scc5c4OCCO5)c3n2)ccn1.
What is the InChIKey of OQVSLOQDSDHTEY-UHFFFAOYSA-N?
The InChIKey is OQVSLOQDSDHTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O4S2/c1-2-15(23-21-17(12-33-23)29-8-10-31-21)19-18(25-27(26-19)13-3-5-24-6-4-13)14(1)22-20-16(11-32-22)28-7-9-30-20/h1-6,11-12H,7-10H2.
What are the key properties of OQVSLOQDSDHTEY-UHFFFAOYSA-N?
OQVSLOQDSDHTEY-UHFFFAOYSA-N has a molecular weight of 476.54 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for OQVSLOQDSDHTEY-UHFFFAOYSA-N is sourced from PubChem (CID 86679910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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