Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-phenyl-
Basic information
- CAS
138187-98-1- Standard SMILES
O=c1oc(-c2ccccc2Cl)nc2c1cnn2-c1ccccc1- InChIKey
VVPBFKKLJUKGSU-UHFFFAOYSA-N- Molecular formula
- C17H10ClN3O2
- Average molar mass
- 323.7 g/mol
- Monoisotopic mass
- 323.0461543
Names & identifiers
- Preferred name
- Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-phenyl-
- IUPAC
- 6-(2-chlorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
Names & synonyms
BRN 48192516-(2-chlorophenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-onePyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-phenyl-138187-98-1DTXSID501605226-(2-Chlorophenyl)-1-phenylpyrazolo(3,4-d)(1,3)oxazin-4(1H)-oneRefChem:376262DTXCID3083013SR-01000424212CBMicro_025221Oprea1_164003Oprea1_296207
Show more names
SCHEMBL9142026-(2-chlorophenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4-oneCCG-12214STK711910AKOS000513849ST010060BIM-0025152.P001AG-205/36728013
Database identifiers
- CAS
138187-98-1- PubChem CID
- 690939
- DTXSID
DTXSID50160522- Nikkaji
- J418.926D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 492
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Compound notes
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