Basic information
- CAS
929869-20-5- Standard SMILES
c1ccc(CCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1- InChIKey
XENNOQKUALGKFB-UHFFFAOYSA-N- Molecular formula
- C19H15N5S
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.10481667
Names & identifiers
- Preferred name
- 2-[3-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole
- IUPAC
- 6-(1H-indol-2-yl)-3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 2-[3-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole
- Molecular formula
- C19H15N5S
- Molecular weight
- 345.42
Names & synonyms
2-[3-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole929869-20-5STK624135AKOS005557317NCGC00318382-01AB01311732-01AO-365/43473250(6E)-6-indol-2-ylidene-3-(2-phenylethyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole6-(1H-indol-2-yl)-3-phenethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole1H-Indole, 2-[3-(2-phenylethyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-
Database identifiers
- CAS
929869-20-5- PubChem CID
- 135653186
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 14.47 · 14.47±0.30(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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