Ethyl 4-(2-(benzo[d]oxazol-2-ylthio)acetamido)benzoate
Basic information
- CAS
58915-09-6- Standard SMILES
CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1- InChIKey
ZNPNSUPAXSQOIG-UHFFFAOYSA-N- Molecular formula
- C18H16N2O4S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.08307817
Names & identifiers
- Preferred name
- Ethyl 4-(2-(benzo[d]oxazol-2-ylthio)acetamido)benzoate
- IUPAC
- ethyl 4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]benzoate
- English name
- Benzoic acid, 4-[[2-(2-benzoxazolylthio)acetyl]amino]-, ethyl ester
- Molecular formula
- C18H16N2O4S
- Molecular weight
- 356.4
Names & synonyms
58915-09-6Ethyl 4-(2-(benzo[d]oxazol-2-ylthio)acetamido)benzoateEthyl 4-{2-[(1,3-benzoxazol-2-yl)sulfanyl]acetamido}benzoateNSC288049Oprea1_152508CHEMBL3926588DTXSID60314751STK239358ZINC00632882AKOS001514578NSC-288049ST4119128
Show more names
Benzoic acid, 4-[[2-(2-benzoxazolylthio)acetyl]amino]-, ethyl ester
ethyl 4-(2-benzoxazol-2-ylthioacetylamino)benzoateethyl 4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetamido]benzoateethyl 4-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}benzoate4-(2-(BENZOOXAZOL-2-YLSULFANYL)-ACETYLAMINO)-BENZOIC ACID ETHYL ESTER
Database identifiers
- CAS
58915-09-6- PubChem CID
- 324107
- DTXSID
DTXSID60314751- ChEMBL
CHEMBL3926588
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 468
Physicochemical properties
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 12.65 · 12.65±0.70(Predicted)
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Compound notes
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