2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetamide
Basic information
- CAS
606122-21-8- Standard SMILES
Cc1cc(C)n(-c2nnc(SCC(N)=O)c3ccccc23)n1- InChIKey
DETZJRFZBIISQH-UHFFFAOYSA-N- Molecular formula
- C15H15N5OS
- Average molar mass
- 313.4 g/mol
Names & identifiers
- Preferred name
- 2-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetamide
- IUPAC
- 2-[4-(3,5-dimethylpyrazol-1-yl)phthalazin-1-yl]sulfanylacetamide
- English name
- Acetamide, 2-[[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]thio]- (9CI)
- Molecular formula
- C15H15N5OS
- Molecular weight
- 313.38
Names & synonyms
606122-21-82-{[4-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetamideDB-284582ACETAMIDE, 2-[[4-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-PHTHALAZINYL]THIO]-Acetamide, 2-[[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]thio]- (9CI)
Database identifiers
- CAS
606122-21-8
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 634.9 · 634.9±55.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 15.08 · 15.08±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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