Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl-
Basic information
- CAS
152423-08-0- Standard SMILES
O=c1c2cn[nH]c2nc2scc(-c3ccccc3)n12- InChIKey
CKSHJSWOXJXFPI-UHFFFAOYSA-N- Molecular formula
- C13H8N4OS
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.04188206
Names & identifiers
- Preferred name
- Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl-
- IUPAC
- 12-phenyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
Names & synonyms
Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl-6-Phenylpyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one152423-08-0DTXSID70165019RefChem:376274DTXCID10875106-Phenylpyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidin-4(1H)-one
Database identifiers
- CAS
152423-08-0- PubChem CID
- 3073765
- DTXSID
DTXSID70165019- Nikkaji
- J551.022H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 469
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Compound notes
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