Basic information
- CAS
851784-77-5- Standard SMILES
COc1cc(C(=O)NCc2nnc(SCC(=O)c3ccc(Cl)cc3)o2)cc(OC)c1OC- InChIKey
LEVIREFORWKNAG-UHFFFAOYSA-N- Molecular formula
- C21H20ClN3O6S
- Average molar mass
- 477.9 g/mol
- Monoisotopic mass
- 477.0761342
Names & identifiers
- Preferred name
- N-[[5-[[2-(4-Chlorophenyl)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
- IUPAC
- N-[[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
Names & synonyms
N-[(5-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-1,3,4-OXADIAZOL-2-YL)METHYL]-3,4,5-TRIMETHOXYBENZAMIDESMR000622367MLS000949313MLS003879683CHEMBL1500668DTXSID601115262HMS2955E09AKOS001787141851784-77-5N-[[5-[[2-(4-Chlorophenyl)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
Database identifiers
- CAS
851784-77-5- PubChem CID
- 4533271
- DTXSID
DTXSID601115262- ChEMBL
CHEMBL1500668
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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