Basic information
- CAS
606122-23-0- Standard SMILES
Cc1cc(C)n(-c2nnc(SCC(=O)NCc3ccccc3)c3ccccc23)n1- InChIKey
VGTDWSKCYZUZMF-UHFFFAOYSA-N- Molecular formula
- C22H21N5OS
- Average molar mass
- 403.5 g/mol
Names & identifiers
- Preferred name
- N-Benzyl-2-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetamide
- IUPAC
- N-benzyl-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]-N-(phenylmethyl)- (9CI)
- Molecular formula
- C22H21N5OS
- Molecular weight
- 403.5
Names & synonyms
606122-23-0N-Benzyl-2-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]sulfanyl}acetamideDB-284585ACETAMIDE, 2-[[4-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-PHTHALAZINYL]THIO]-N-(PHENYLMETHYL)-Acetamide, 2-[[4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phthalazinyl]thio]-N-(phenylmethyl)- (9CI)
Database identifiers
- CAS
606122-23-0
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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