Metabolite BAL8728
- Name
- BAL8728
- Description
- Not Available
- Structure
Structure for BAL8728
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 164.164
Monoisotopic: 164.058577506 - Chemical Formula
- C8H8N2O2
- InChI Key
- DATWPOFGEWIKFI-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H8N2O2/c1-10-7-6(3-2-4-9-7)5-12-8(10)11/h2-4H,5H2,1H3
- IUPAC Name
- 1-methyl-1H,2H,4H-pyrido[2,3-d][1,3]oxazin-2-one
- SMILES
- CN1C(=O)OCC2=C1N=CC=C2
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 111256743
- Predicted Properties
Property Value Source logP 0.82 Chemaxon pKa (Strongest Basic) 1.87 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 42.43 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 42.37 m3·mol-1 Chemaxon Polarizability 15.85 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon