ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate

C19H18N2O2Se — CID 10959994

IUPACethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate
SMILESCCOC(=O)c1nc[se]c1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N2O2Se/c1-2-23-19(22)17-18(24-13-20-17)21-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,21H,2H2,1H3
InChIKeyGHYHSBQNOSDIEJ-UHFFFAOYSA-N
MW385.33 g/mol
LogP3.52
Rot. Bonds6

About ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate

ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate (PubChem CID 10959994) has the molecular formula C19H18N2O2Se and a molecular weight of 385.33 g/mol. Its IUPAC name is ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate
PubChem CID10959994
Molecular FormulaC19H18N2O2Se
Molecular Weight385.33 g/mol
Exact Mass386.05
IUPAC Nameethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate
SMILESCCOC(=O)c1nc[se]c1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18N2O2Se/c1-2-23-19(22)17-18(24-13-20-17)21-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,21H,2H2,1H3
InChIKeyGHYHSBQNOSDIEJ-UHFFFAOYSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate?
The IUPAC name of ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate (CID 10959994) is ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate?
The canonical SMILES for ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate is CCOC(=O)c1nc[se]c1NC(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate?
The InChIKey is GHYHSBQNOSDIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2Se/c1-2-23-19(22)17-18(24-13-20-17)21-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,21H,2H2,1H3.
What are the key properties of ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate?
ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate has a molecular weight of 385.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzhydrylamino)-1,3-selenazole-4-carboxylate is sourced from PubChem (CID 10959994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).