2-(1H-indol-3-yl)-N-[3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
Basic information
- CAS
1081132-34-4- Standard SMILES
CSCCC(NC(=O)Cc1c[nH]c2ccccc12)c1nnc2ccccn12- InChIKey
JTQLJKAYXRVMCS-UHFFFAOYSA-N- Molecular formula
- C20H21N5OS
- Average molar mass
- 379.5 g/mol
Names & identifiers
- Preferred name
- 2-(1H-indol-3-yl)-N-[3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
- IUPAC
- 2-(1H-indol-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
- English name
- 2-(1H-indol-3-yl)-N-[3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
- Molecular formula
- C20H21N5OS
- Molecular weight
- 379.48
Names & synonyms
2-(1H-indol-3-yl)-N-[3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide1081132-34-4STK633773AKOS005567728N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-2-(1H-indol-3-yl)acetamide1H-Indole-3-acetamide, N-[3-(methylthio)-1-(1,2,4-triazolo[4,3-a]pyridin-3-yl)propyl]-
Database identifiers
- CAS
1081132-34-4
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 507
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 14.15 · 14.15±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…