ST049533
Basic information
- CAS
5777-11-7- Standard SMILES
CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccc(Cl)cc3)o2)c1C- InChIKey
HICQCZWPSHRDJE-UHFFFAOYSA-N- Molecular formula
- C20H19ClN2O2S
- Average molar mass
- 386.9 g/mol
- Monoisotopic mass
- 386.0855767
Names & identifiers
- Preferred name
- ST049533
- IUPAC
- 1-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2,4,6-trimethylphenyl]ethanone
Names & synonyms
ST0495335777-11-7DTXSID30344883RefChem:381391DTXCID402959581-[3-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2,4,6-trimethylphenyl]ethanone1-acetyl-3-{[5-(4-chlorophenyl)(1,3,4-oxadiazol-2-ylthio)]methyl}-2,4,6-trimet hylbenzene1-[3-({[5-(4-CHLOROPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}METHYL)-2,4,6-TRIMETHYLPHENYL]ETHAN-1-ONEHICQCZWPSHRDJE-UHFFFAOYSA-NSTK734218AKOS0033063021-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2,4,6-trimethylphenyl]ethanone
Show more names
AG-205/14740097SR-01000531360SR-01000531360-11-[3-(([5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl)methyl)-2,4,6-trimethylphenyl]ethanone #1-[3-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio}methyl)-2,4,6-trimethylphenyl]ethanoneEthanone, 1-[2,4,6-trimethyl-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-ylthiomethyl]phenyl]-
Database identifiers
- CAS
5777-11-7- PubChem CID
- 600148
- DTXSID
DTXSID30344883
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
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Related reactions
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Compound notes
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