5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one

C18H16N2O4Se2 — CID 46911404

IUPAC5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one
SMILESCOc1ccc2[se]n(CCn3[se]c4ccc(OC)cc4c3=O)c(=O)c2c1
InChIInChI=1S/C18H16N2O4Se2/c1-23-11-3-5-15-13(9-11)17(21)19(25-15)7-8-20-18(22)14-10-12(24-2)4-6-16(14)26-20/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMZMQMEKKARSJNG-UHFFFAOYSA-N
MW482.26 g/mol
LogP1.15
Rot. Bonds5

About 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one

5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one (PubChem CID 46911404) has the molecular formula C18H16N2O4Se2 and a molecular weight of 482.26 g/mol. Its IUPAC name is 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one
PubChem CID46911404
Molecular FormulaC18H16N2O4Se2
Molecular Weight482.26 g/mol
Exact Mass483.94
IUPAC Name5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one
SMILESCOc1ccc2[se]n(CCn3[se]c4ccc(OC)cc4c3=O)c(=O)c2c1
InChIInChI=1S/C18H16N2O4Se2/c1-23-11-3-5-15-13(9-11)17(21)19(25-15)7-8-20-18(22)14-10-12(24-2)4-6-16(14)26-20/h3-6,9-10H,7-8H2,1-2H3
InChIKeyMZMQMEKKARSJNG-UHFFFAOYSA-N
XLogP1.15
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.26
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one?
The IUPAC name of 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one (CID 46911404) is 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one.
What is the SMILES notation for 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one?
The canonical SMILES for 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one is COc1ccc2[se]n(CCn3[se]c4ccc(OC)cc4c3=O)c(=O)c2c1.
What is the InChIKey of 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one?
The InChIKey is MZMQMEKKARSJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4Se2/c1-23-11-3-5-15-13(9-11)17(21)19(25-15)7-8-20-18(22)14-10-12(24-2)4-6-16(14)26-20/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one?
5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one has a molecular weight of 482.26 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-(5-methoxy-3-oxo-1,2-benzoselenazol-2-yl)ethyl]-1,2-benzoselenazol-3-one is sourced from PubChem (CID 46911404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).