N-(2-methoxyphenyl)-2-((3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)thio)acetamide
Basic information
- CAS
869073-92-7- Standard SMILES
COc1ccccc1NC(=O)CSc1nn2c(=O)c(C)nnc2s1- InChIKey
OSGADTFDBDZMCL-UHFFFAOYSA-N- Molecular formula
- C14H13N5O3S2
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.04598164
Names & identifiers
- Preferred name
- N-(2-methoxyphenyl)-2-((3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)thio)acetamide
- IUPAC
- N-(2-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
Names & synonyms
869073-92-7N-(2-methoxyphenyl)-2-((3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)thio)acetamideN-(2-methoxyphenyl)-2-({3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)acetamideN-(2-methoxyphenyl)-2-[(3-methyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamideN-(2-Methoxyphenyl)-2-[(3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamideMLS001236187CHEMBL1533405DTXSID801326322HMS2977C05AKOS024614618SMR000806639F1853-0045
Database identifiers
- CAS
869073-92-7- PubChem CID
- 7197232
- DTXSID
DTXSID801326322- ChEMBL
CHEMBL1533405
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 634
Experimental & physicochemical properties
Solubility40.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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