Basic information
- CAS
308087-92-5- Standard SMILES
O=[N+]([O-])c1cc(Cl)c(-n2cccc2)cc1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1- InChIKey
XHGYWRDXZRCQPJ-UHFFFAOYSA-N- Molecular formula
- C25H16ClN3O3S
- Average molar mass
- 473.9 g/mol
- Monoisotopic mass
- 473.0600902
Names & identifiers
- Preferred name
- Oxazole, 2-[[4-chloro-2-nitro-5-(1H-pyrrol-1-yl)phenyl]thio]-4,5-diphenyl-
- IUPAC
- 2-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-4,5-diphenyl-1,3-oxazole
Names & synonyms
308087-92-5Oxazole, 2-[[4-chloro-2-nitro-5-(1H-pyrrol-1-yl)phenyl]thio]-4,5-diphenyl-2-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanyl-4,5-diphenyl-1,3-oxazoleMaybridge1_006813HMS560N15DTXSID003695082-{[4-Chloro-2-nitro-5-(1H-pyrrol-1-yl)phenyl]sulfanyl}-4,5-diphenyl-1,3-oxazole
Database identifiers
- CAS
308087-92-5- PubChem CID
- 2728443
- DTXSID
DTXSID00369508
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…