2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide
Basic information
- CAS
876709-13-6- Standard SMILES
NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1- InChIKey
ALBXMHIHAJVQEC-UHFFFAOYSA-N- Molecular formula
- C13H10ClN5OS
- Average molar mass
- 319.77 g/mol
- Monoisotopic mass
- 319.0294588
Names & identifiers
- Preferred name
- 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide
- IUPAC
- 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
Names & synonyms
876709-13-62-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide2-[[1-(4-Chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamideDTXSID2011547232-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamideSTL349168AKOS000653734ST50730743AB00686943-01F1874-0628Z1449559614
Show more names
2-{[1-(4-CHLOROPHENYL)PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]SULFANYL}ACETAMIDEAcetamide, 2-[[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]thio]-
Database identifiers
- CAS
876709-13-6- PubChem CID
- 3786017
- DTXSID
DTXSID201154723
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
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Compound notes
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