1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone

C21H23N3O2Se — CID 3074423

IUPAC1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone
SMILESCC(=O)C1=NN(c2ccccc2)C(Cc2ccccc2)(N2CCOCC2)[Se]1
InChIInChI=1S/C21H23N3O2Se/c1-17(25)20-22-24(19-10-6-3-7-11-19)21(27-20,23-12-14-26-15-13-23)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3
InChIKeyZVEPHKKAZUZQID-UHFFFAOYSA-N
MW428.39 g/mol
LogP2.34
Rot. Bonds5

About 1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone

1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone (PubChem CID 3074423) has the molecular formula C21H23N3O2Se and a molecular weight of 428.39 g/mol. Its IUPAC name is 1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone
PubChem CID3074423
Molecular FormulaC21H23N3O2Se
Molecular Weight428.39 g/mol
Exact Mass429.10
IUPAC Name1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone
SMILESCC(=O)C1=NN(c2ccccc2)C(Cc2ccccc2)(N2CCOCC2)[Se]1
InChIInChI=1S/C21H23N3O2Se/c1-17(25)20-22-24(19-10-6-3-7-11-19)21(27-20,23-12-14-26-15-13-23)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3
InChIKeyZVEPHKKAZUZQID-UHFFFAOYSA-N
XLogP2.34
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone?
The IUPAC name of 1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone (CID 3074423) is 1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone?
The canonical SMILES for 1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone is CC(=O)C1=NN(c2ccccc2)C(Cc2ccccc2)(N2CCOCC2)[Se]1.
What is the InChIKey of 1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone?
The InChIKey is ZVEPHKKAZUZQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2Se/c1-17(25)20-22-24(19-10-6-3-7-11-19)21(27-20,23-12-14-26-15-13-23)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3.
What are the key properties of 1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone?
1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone has a molecular weight of 428.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-5-morpholin-4-yl-4-phenyl-1,3,4-selenadiazol-2-yl)ethanone is sourced from PubChem (CID 3074423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).