Basic information
- CAS
332883-11-1- Standard SMILES
O=[N+]([O-])c1ccccc1-c1nnc(CSc2nnc(-c3ccccc3O)o2)o1- InChIKey
VYGUJAYAWPIQTM-UHFFFAOYSA-N- Molecular formula
- C17H11N5O5S
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.04808964
Names & identifiers
- Preferred name
- 2-(5-(((5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)phenol
- IUPAC
- 2-[5-[[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenol
Names & synonyms
332883-11-12-(5-(((5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl)methyl)thio)-1,3,4-oxadiazol-2-yl)phenol2-[5-({[5-(2-NITROPHENYL)-1,3,4-OXADIAZOL-2-YL]METHYL}SULFANYL)-1,3,4-OXADIAZOL-2-YL]PHENOL2-[5-[[[5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thio]-1,3,4-oxadiazol-2-yl]phenolCHEMBL460354DTXSID001124948AKOS000587853ST50259984SR-01000355740SR-01000355740-12-{5-[5-(2-Nitro-phenyl)-[1,3,4]oxadiazol-2-ylmethylsulfanyl]-[1,3,4]oxadiazol-2-yl}-phenol
Database identifiers
- CAS
332883-11-1- PubChem CID
- 3137464
- DTXSID
DTXSID001124948- ChEMBL
CHEMBL460354
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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