Basic information
- CAS
138188-00-8- Standard SMILES
CC(=O)Oc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)o1- InChIKey
WRXCCSTXCJRBRD-UHFFFAOYSA-N- Molecular formula
- C19H13N3O4
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 347.0906059
Names & identifiers
- Preferred name
- Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-(acetyloxy)phenyl)-1-phenyl-
- IUPAC
- [2-(4-oxo-1-phenylpyrazolo[5,4-d][1,3]oxazin-6-yl)phenyl] acetate
Names & synonyms
BRN 4823503Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-(acetyloxy)phenyl)-1-phenyl-138188-00-86-(2-(Acetyloxy)phenyl)-1-phenylpyrazolo(3,4-d)(1,3)oxazin-4(1H)-oneDTXSID70160524RefChem:376258DTXCID30830152-(4-Oxo-1-phenyl-1,4-dihydropyrazolo[3,4-d][1,3]oxazin-6-yl)phenyl acetate
Database identifiers
- CAS
138188-00-8- PubChem CID
- 3071663
- DTXSID
DTXSID70160524
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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