Basic information
- CAS
309271-00-9- Standard SMILES
O=C(Cc1c(Sc2ccccc2)c2ccccc2n1Cc1ccccc1)Nc1ccccc1- InChIKey
NBKSXIMWCMMWHT-UHFFFAOYSA-N- Molecular formula
- C29H24N2OS
- Average molar mass
- 448.6 g/mol
Names & identifiers
- Preferred name
- 2-[1-benzyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-phenylacetamide
- IUPAC
- 2-(1-benzyl-3-phenylsulfanylindol-2-yl)-N-phenylacetamide
- English name
- 2-[1-benzyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-phenylacetamide
- Molecular formula
- C29H24N2OS
- Molecular weight
- 448.58
Names & synonyms
2-[1-benzyl-3-(phenylsulfanyl)-1H-indol-2-yl]-N-phenylacetamideChemDiv1_025778Oprea1_085726HMS660D162-(1-benzyl-3-phenylsulfanylindol-2-yl)-N-phenylacetamideSTK054909AKOS001754721ST4048343AG-205/12831065SR-01000525492SR-01000525492-1N-phenyl-2-[1-benzyl-3-phenylthioindol-2-yl]acetamide
Show more names
1H-Indole-2-acetamide, N-phenyl-1-(phenylmethyl)-3-(phenylthio)-
Database identifiers
- CAS
309271-00-9
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 609
Physicochemical properties
- Boiling point
- 700.5 · 700.5±60.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 14.52 · 14.52±0.70(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…