Propan-2-yl 3-[({[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
Basic information
- CAS
724746-24-1- Standard SMILES
Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)o2)c1- InChIKey
QKBPYNHJHUPIOQ-UHFFFAOYSA-N- Molecular formula
- C21H21N3O4S
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.12527733
Names & identifiers
- Preferred name
- Propan-2-yl 3-[({[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
- IUPAC
- propan-2-yl 3-[[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Names & synonyms
724746-24-1propan-2-yl 3-[({[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate1-Methylethyl 3-[[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]benzoateDTXSID001124198STK116378AKOS003667622propan-2-yl 3-[[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoateAR-196/42202366isopropyl 3-[({[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoatePropan-2-yl 3-(2-{[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoate
Database identifiers
- CAS
724746-24-1- PubChem CID
- 4553709
- DTXSID
DTXSID001124198
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 562
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Compound notes
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